Chemokine receptors

Cas#: 1240516-71-5        Compound CID:  46861584

Formula:  C₂₄H₂₅ClN₄O₅S₂        Molecular Weight: 549.06

IUPAC Name: N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide

SMILES: CC(C)(C(=O)NCC1=CC(=CC=C1)CN2C3=C(C(=CC=C3)OC)C(=N2)NS(=O)(=O)C4=CC=C(S4)Cl)O

InChIKey: YTEVTHHGQMUPHC-UHFFFAOYSA-N

InChI: InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)

Cas#: 266359-83-5        Compound CID:  9838712

Formula:  C₁₄H₂₁NO₃S        Molecular Weight: 283.39

IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide

SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)C

InChIKey: KQDRVXQXKZXMHP-LLVKDONJSA-N

InChI: InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1

Cas#: 247580-43-4        Compound CID:  10474776

Formula:  C₂₁H₁₈N₂O₅        Molecular Weight: 378.38

IUPAC Name: methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate

SMILES: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32

InChIKey: VMFGCGRAIBLAFY-IBGZPJMESA-N

InChI: InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1

Cas#: 217645-70-0        Compound CID:  512282

Formula:  C₂₁H₂₄ClFN₄O₃        Molecular Weight: 434.89

IUPAC Name: [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea

SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F

InChIKey: XQYASZNUFDVMFH-CQSZACIVSA-N

InChI: InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1

Cas#: 874911-96-3        Compound CID:  56972201

Formula:  C₂₁H₂₈N₂O₃        Molecular Weight: 356.46

IUPAC Name: 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride

SMILES: C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3.Cl.Cl

InChIKey: MPACCEKWFGWZHS-UHFFFAOYSA-N

InChI: InChI=1S/C21H28N2O3.2ClH/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20;;/h1-8,17,24H,9-16,18H2;2*1H

Cas#: 300816-15-3        Compound CID:  9953769

Formula:  C₂₅H₂₇N₃O₃        Molecular Weight: 417.5

IUPAC Name: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

SMILES: CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C

InChIKey: ODNICNWASXKNNQ-UHFFFAOYSA-N

InChI: InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)

Cas#: 558447-26-0        Compound CID:  11256587

Formula:  C₂₁H₂₇N₅        Molecular Weight: 349.48

IUPAC Name: N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine

SMILES: C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3

InChIKey: WVLHHLRVNDMIAR-IBGZPJMESA-N

InChI: InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1

Cas#: 110078-46-1        Compound CID:  65015

Formula:  C₂₈H₅₄N₈        Molecular Weight: 502.78

IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N

InChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2

Cas#: 566203-88-1        Compound CID:  10308720

Formula:  C₁₁H₉Cl₂N₃O₃S        Molecular Weight: 334.18

IUPAC Name: 2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl

InChIKey: FLSMVCMSUNISFK-UHFFFAOYSA-N

InChI: InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)

Cas#: 19057-60-4        Compound CID:  119245

Formula:  C₄₅H₇₂O₁₆        Molecular Weight: 869.05

IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChIKey: VNONINPVFQTJOC-ZGXDEBHDSA-N

InChI: InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

Cas#: 1262238-11-8       

Formula:  C₂₉H₃₄F₃N₃O₆        Molecular Weight: 577.59

IUPAC Name: N-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

SMILES: CCOC1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

InChIKey: MZEOSVPWMSEFPW-XYCDVDSTSA-N

InChI: InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21?,22-,25-,28?/m0/s1

Cas#: 300815-41-2        Compound CID:  16759153

Formula:  C₂₁H₂₁F₃N₂O₂        Molecular Weight: 390.40

IUPAC Name: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

SMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl

InChIKey: KRRISOFSWVKYBF-UHFFFAOYSA-N

InChI: InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H