Catalytic receptors

Cas#: 1025967-78-5        Compound CID:  11965427

Formula:  C₂₉H₂₄Cl₂N₂O₇S        Molecular Weight: 615.48

IUPAC Name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

SMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl

InChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-N

InChI: InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1

Cas#: 124833-45-0        Compound CID:  44301714

Formula:  C₄₆H₆₆N₁₂O₈        Molecular Weight: 915.11

IUPAC Name: (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid

SMILES: CCC(C)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCN=C(N)N)NC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2

InChIKey: UNMJSSQZDQBGDS-OCFLPWLCSA-N

InChI: InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1

Cas#: 799264-47-4        Compound CID:  1088438

Formula:  C₁₄H₁₃N₃O₂S        Molecular Weight: 287.34

IUPAC Name: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N

InChIKey: SRFABRWQVPCPRG-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)

Cas#: 213211-10-0        Compound CID:  9803375

Formula:  C₁₈H₁₅BrCl₂N₂O₂        Molecular Weight: 442.13

IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione

SMILES: CC1(C(=O)N(C(=O)N1C)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=C(C=C3)Br

InChIKey: FJNJHZQMQRVZEE-GOSISDBHSA-N

InChI: InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1

Cas#: 99011-02-6        Compound CID:  57469

Formula:  C₁₄H₁₆N₄        Molecular Weight: 240.31

IUPAC Name: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

SMILES: CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N

InChIKey: DOUYETYNHWVLEO-UHFFFAOYSA-N

InChI: InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)

Cas#: 170632-47-0        Compound CID:  5712

Formula:  C₁₉H₁₆N₂O₂        Molecular Weight: 304.34

IUPAC Name: [5-(1-benzylindazol-3-yl)furan-2-yl]methanol

SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO

InChIKey: OQQVFCKUDYMWGV-UHFFFAOYSA-N

InChI: InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2

Cas#: 280749-17-9        Compound CID:  9846729

Formula:  C₂₄H₂₇N₃O₄S        Molecular Weight: 453.55

IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one

SMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-N

InChI: InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+

Cas#: 54863-37-5        Compound CID:  12714644

Formula:  C₄H₇NO₂S        Molecular Weight: 133.17

IUPAC Name: 3-methylsulfonylpropanenitrile

SMILES: CS(=O)(=O)CCC#N

InChIKey: LQFRYKBDZNPJSW-UHFFFAOYSA-N

InChI: InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3

Cas#: 455264-31-0        Compound CID:  10186367

Formula:  C₂₆H₂₅BrN₄O₃        Molecular Weight: 521.42

IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid

SMILES: C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O

InChIKey: KYHVWHYLKOHLKA-FQEVSTJZSA-N

InChI: InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1

Cas#: 402567-16-2        Compound CID:  9935681

Formula:  C₂₇H₂₇F₂NO₆        Molecular Weight: 499.5

IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid

SMILES: CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC

InChIKey: YLFZHHDVRSYTKT-NRFANRHFSA-N

InChI: InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1

Cas#: 317353-73-4        Compound CID:  11226207

Formula:  C₂₈H₃₄N₄O₆        Molecular Weight: 522.59

IUPAC Name: 2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid

SMILES: CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3C(=O)N4CCC(CC4)CC(=O)O

InChIKey: ITXAAOWFOURIHK-DEOSSOPVSA-N

InChI: InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1

Cas#: 53678-77-6        Compound CID:  11620162

Formula:  C₁₉H₃₂N₄O₁₁·xH₂O        Molecular Weight: 492.48 (anhydrous basis)

IUPAC Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid

SMILES: CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

InChIKey: BSOQXXWZTUDTEL-QAQREVAFSA-N

InChI: InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19?/m0/s1