小分子和化合物库
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PF 04628935,ghrelin受体反向激动剂CAS号 : 1383719-97-8 Compound CID : 70682037分子式: C24H26ClN7OS 分子量: 496.03IUPAC Name: 1-[2-[[2-chloro-4-(triazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanoneSMILES: CC1=CN2C=C(N=C2S1)CC(=O)N3CCC4(CC3)CN(C4)CC5=C(C=C(C=C5)N6N=CC=N6)ClInChIKey: MTDYDDJVCIHZKH-UHFFFAOYSA-NInChI: InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3
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GHRP-2CAS号 : 158861-67-7 Compound CID : 6918245分子式: C45H55N9O6·xCH3COOH 分子量: 817.99 (free base basis)IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamideSMILES: CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCCN)C(=O)N)NInChIKey: HRNLPPBUBKMZMT-RDRUQFPZSA-NInChI: InChI=1S/C45H55N9O6/c1-27(47)41(56)52-38(24-30-19-20-31-14-6-7-15-32(31)22-30)43(58)50-28(2)42(57)53-39(25-33-26-49-35-17-9-8-16-34(33)35)45(60)54-37(23-29-12-4-3-5-13-29)44(59)51-36(40(48)55)18-10-11-21-46/h3-9,12-17,19-20,22,26-28,36-39,49H,10-11,18,21,23-25,46-47H2,1-2H3,(H2,48,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)(H,54,60)/t27-,28+,36+,37-,38-,39+/m1/s1
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JMV 2959CAS号 : 925238-89-7 Compound CID : 16114404分子式: C30H32N6O2 分子量: 254.29IUPAC Name: 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamideSMILES: COC1=CC=C(C=C1)CN2C(=NN=C2C(CC3=CNC4=CC=CC=C43)NC(=O)CN)CCC5=CC=CC=C5InChIKey: OZSZELOMMMKWTM-HHHXNRCGSA-NInChI: InChI=1S/C30H32N6O2/c1-38-24-14-11-22(12-15-24)20-36-28(16-13-21-7-3-2-4-8-21)34-35-30(36)27(33-29(37)18-31)17-23-19-32-26-10-6-5-9-25(23)26/h2-12,14-15,19,27,32H,13,16-18,20,31H2,1H3,(H,33,37)/t27-/m1/s1
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JMV 2959CAS号 : 925238-89-7(DMSO)分子式: C30H32N6O2 分子量: 254.29SMILES: COC1=CC=C(C=C1)CN2C(=NN=C2C(CC3=CNC4=CC=CC=C43)NC(=O)CN)CCC5=CC=CC=C5
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1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidineCAS号 : 443668-51-7 Compound CID : 846306分子式: C13H18BrNO3S 分子量: 348.26IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpiperidineSMILES: CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)BrInChIKey: WUFYBGATQFSDDE-UHFFFAOYSA-NInChI: InChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3
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1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolineCompound CID : 778296分子式: C17H19NO4S 分子量: 333.4IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolineSMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32InChIKey: WFUWHYHLVVRLEJ-UHFFFAOYSA-NInChI: InChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
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1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazineCAS号 : 692762-00-8 Compound CID : 701237分子式: C17H27N3O2S 分子量: 337.5IUPAC Name: 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazineSMILES: CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCCC3)CInChIKey: WPBRWZIGDANJAJ-UHFFFAOYSA-NInChI: InChI=1S/C17H27N3O2S/c1-15-6-7-17(16(2)14-15)18-10-12-20(13-11-18)23(21,22)19-8-4-3-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
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1-(2-Methoxy-4-methylphenyl)sulfonylazepaneCAS号 : 333746-11-5 Compound CID : 567073分子式: C14H21NO3S 分子量: 283.39IUPAC Name: 1-(2-methoxy-4-methylphenyl)sulfonylazepaneSMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)OCInChIKey: OSMYTXDDDRZWAT-UHFFFAOYSA-NInChI: InChI=1S/C14H21NO3S/c1-12-7-8-14(13(11-12)18-2)19(16,17)15-9-5-3-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
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1-(4-Chloro-3-methoxyphenyl)sulfonylazepaneCAS号 : 409357-20-6 Compound CID : 566595分子式: C13H18ClNO3S 分子量: 303.81IUPAC Name: 1-(4-chloro-3-methoxyphenyl)sulfonylazepaneSMILES: COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)ClInChIKey: VFGFTDOTXGPWKW-UHFFFAOYSA-NInChI: InChI=1S/C13H18ClNO3S/c1-18-13-10-11(6-7-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
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1-Benzenesulfonyl-4-o-tolyl-piperazineCompound CID : 740952分子式: C17H20N2O2S 分子量: 316.4IUPAC Name: 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazineSMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3InChIKey: LHZKIJOVBGFZJL-UHFFFAOYSA-NInChI: InChI=1S/C17H20N2O2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)22(20,21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
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3-(5-(3-Chlorobenzyl)thiazol-2-yl)-2-iminothiazolidin-4-oneCAS号 : 488725-28-6 Compound CID : 3157015分子式: C13H10ClN3OS2 分子量: 323.8IUPAC Name: 3-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-oneSMILES: C1C(=O)N(C(=N)S1)C2=NC=C(S2)CC3=CC(=CC=C3)ClInChIKey: BDMKQYJFAWVQOA-UHFFFAOYSA-NInChI: InChI=1S/C13H10ClN3OS2/c14-9-3-1-2-8(4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
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