Targets

Cas#: 31098-42-7        Compound CID:  104807

Formula:  C₅H₁₄N₂S        Molecular Weight: 134.24

IUPAC Name: 2-(3-aminopropylamino)ethanethiol

SMILES: C(CN)CNCCS

InChIKey: YHPLKWQJMAYFCN-UHFFFAOYSA-N

InChI: InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2

Cas#: 1403744-37-5        Compound CID:  160272319

Formula:  (C₂H₄O)_nC₄₅H₈₆NO₁₂P.Na        Molecular Weight: 2000(Average)

IUPAC Name: 4-[[4-(dimethylamino)phenyl]-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-morpholin-4-ylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridin-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

SMILES: CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(C=C3)C)C4=CC=C(C=C4)OC5CCN(CC5)C)O.CC1=NC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)C.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)OCCN5CCOCC5.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)N4CCOCC4)O)C(=O)C2=O)C5=CC=C(C=C5)OC.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)N(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)OC(F)(F)F

InChIKey: NIXOVWUDDMBODS-UHFFFAOYSA-N

InChI: InChI=1S/C31H34N4O5.C29H30N4O4.C29H30N2O3.C27H26N4O5.C25H21F3N4O4/c1-20(2)22-5-7-24(8-6-22)29(36)27-28(35(31(38)30(27)37)26-13-4-21(3)32-33-26)23-9-11-25(12-10-23)40-19-16-34-14-17-39-18-15-34;1-18-4-7-21(8-5-18)27(34)25-26(33(29(36)28(25)35)24-13-6-19(2)30-31-24)20-9-11-22(12-10-20)37-23-14-16-32(3)17-15-23;1-17(2)20-7-11-22(12-8-20)26-25(27(32)23-13-9-21(10-14-23)18(3)4)28(33)29(34)31(26)24-15-6-19(5)30-16-24;1-17-3-12-22(29-28-17)31-24(18-6-10-21(35-2)11-7-18)23(26(33)27(31)34)25(32)19-4-8-20(9-5-19)30-13-15-36-16-14-30;1-14-4-13-19(30-29-14)32-21(15-7-11-18(12-8-15)36-25(26,27)28)20(23(34)24(32)35)22(33)16-5-9-17(10-6-16)31(2)3/h4-13,20,28,36H,14-19H2,1-3H3;4-13,23,26,34H,14-17H2,1-3H3;6-18,26,32H,1-5H3;3-12,24,32H,13-16H2,1-2H3;4-13,21,33H,1-3H3

Cas#: 19645-28-4       

Formula:  C₈₆H₁₃₂N₂₄O₂₄S₄        Molecular Weight: 2014.37

Cas#: 525625-52-9       

Molecular Weight: 7704.00

SMILES: [Agatolimod]

Cas#: 161710-10-7        Compound CID:  44366908

Formula:  C₂₀H₃₀N₂O₄        Molecular Weight: 362.46

IUPAC Name: benzyl N-[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

SMILES: CCC(C)C(C(=O)NC(CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1

InChIKey: WJQLUFQGNVGLKR-SZMVWBNQSA-N

InChI: InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/t15-,17-,18-/m0/s1

Cas#: 143318-06-3       

Formula:  C₉H₇D₃O₃        Molecular Weight: 169.19

SMILES: O=CC1=CC=C(OC([2H])([2H])[2H])C(OC)=C1

Cas#: 122008-78-0        Compound CID:  15118048

Formula:  C₁₆H₁₂FNO₄        Molecular Weight: 301.27

IUPAC Name: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid

SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F

InChIKey: ROBSGBGTWRRYSK-SNVBAGLBSA-N

InChI: InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1

Cas#: 1258457-59-8        Compound CID:  52945312

Formula:  C₂₂H₂₅N₅        Molecular Weight: 359.5

IUPAC Name: 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine

SMILES: CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N

InChIKey: SDSKFWHQCNBICO-UHFFFAOYSA-N

InChI: InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)

Cas#: 53163-44-3       

Formula:  C₄₀H₄₈D₈        Molecular Weight: 544.92

SMILES: CC1(C)C(/C=C/C(C([2H])([2H])[2H])=C([2H])/C=C/C(C)=C/C=C/C=C(C)/C=C/C([2H])=C(C([2H])([2H])[2H])/C=C/C2=C(C)CCCC2(C)C)=C(C)CCC1

Cas#: 79640-70-3       

Formula:  C₂₄H₃₀N₈O₅        Molecular Weight: 510.55

SMILES: O=C(O)CC[C@H](NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O)C(OC(C)(C)C)=O

Cas#: 39946-41-3        Compound CID:  15608626

Formula:  C₂₇H₄₄O₆        Molecular Weight: 464.63

IUPAC Name: (2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol

SMILES: CC1C(C(CC(O1)OC(C)C2(CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O)O)O

InChIKey: MQSVACYEBUOKAY-NOQMFQFLSA-N

InChI: InChI=1S/C27H44O6/c1-15-24(30)22(29)14-23(32-15)33-16(2)27(31)12-9-21-19-6-5-17-13-18(28)7-10-25(17,3)20(19)8-11-26(21,27)4/h5,15-16,18-24,28-31H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1

Cas#: 1964506-29-3       

Molecular Weight: 4872.90

SMILES: [DNA, d(P-thio)(T-C-C-T-G-G-C-G-c7G-G-G-A-A-G-T)]