小分子和化合物库
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Y-33075,ROCK 抑制剂CAS号 : 199433-58-4 Compound CID : 9810884分子式: C16H16N4O 分子量: 280.33IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamideSMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)NInChIKey: JTVBXQAYBIJXRP-SNVBAGLBSA-NInChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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H-1152,ROCK 抑制剂CAS号 : 451462-58-1 Compound CID : 448043分子式: C16H21N3O2S 分子量: 319.42IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolineSMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)CInChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-NInChI: InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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PD-1 / PD-L1抑制剂1CAS号 : 1675201-83-8 Compound CID : 91663303分子式: C29H33NO5 分子量: 475.6IUPAC Name: (2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acidSMILES: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCCC4C(=O)O)OCInChIKey: ZBOYJODMIAUJHH-SANMLTNESA-NInChI: InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1
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