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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NS-1619,K Ca 1.1通道激活剂CAS号 : 153587-01-0 Compound CID : 4552分子式: C15H8F6N2O2 分子量: 362.23IUPAC Name: 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-oneSMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)OInChIKey: YLFMCMWKHSDUCT-UHFFFAOYSA-NInChI: InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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1-(3-氯苯胺基)-4-苯基酞嗪CAS号 : 78351-75-4分子式: C20H14ClN3 分子量: 331.8IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amineSMILES: C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)ClInChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-NInChI: InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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GMX1778,NF-κβ抑制剂CAS号 : 200484-11-3 Compound CID : 148198分子式: C19H22ClN5O 分子量: 371.86IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidineSMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)ClInChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-NInChI: InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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(R)-比卡鲁胺CAS号 : 113299-40-4 Compound CID : 56069分子式: C18H14F4N2O4S 分子量: 430.37IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamideSMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)OInChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-NInChI: InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
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MIRA-1,无毒且p53诱导剂CAS号 : 72835-26-8 Compound CID : 227681分子式: C8H9NO4 分子量: 183.16IUPAC Name: (2,5-dioxopyrrol-1-yl)methyl propanoateSMILES: CCC(=O)OCN1C(=O)C=CC1=OInChIKey: YXEWPGYLMHXLPS-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3
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SC-9,Ca 2+依赖性PKC激活剂CAS号 : 102649-78-5 Compound CID : 124172分子式: C22H24ClNO2S 分子量: 401.95IUPAC Name: 5-chloro-N-(6-phenylhexyl)naphthalene-1-sulfonamideSMILES: C1=CC=C(C=C1)CCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3ClInChIKey: YUXMTDYHFPRPLG-UHFFFAOYSA-NInChI: InChI=1S/C22H24ClNO2S/c23-21-15-8-14-20-19(21)13-9-16-22(20)27(25,26)24-17-7-2-1-4-10-18-11-5-3-6-12-18/h3,5-6,8-9,11-16,24H,1-2,4,7,10,17H2
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顺式白藜芦醇CAS号 : 61434-67-1 Compound CID : 1548910分子式: C14H12O3 分子量: 228.25IUPAC Name: 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-UPHRSURJSA-NInChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-
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SC-10,细胞可渗透Ca 2+依赖性PKC激活剂CAS号 : 102649-79-6 Compound CID : 5175分子式: C17H22ClNO2S 分子量: 339.88IUPAC Name: 5-chloro-N-heptylnaphthalene-1-sulfonamideSMILES: CCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2ClInChIKey: MJMJERJFCHYXEM-UHFFFAOYSA-NInChI: InChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3
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TGR5受体激动剂CAS号 : 1197300-24-5 Compound CID : 44605616分子式: C18H14Cl2N2O2 分子量: 361.23IUPAC Name: 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamideSMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(C)C3=CC=C(C=C3)ClInChIKey: IGRCWJPBLWGNPX-UHFFFAOYSA-NInChI: InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3
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