小分子和化合物库
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TRPC6-PAM-C20,TRPC6正变构调节剂CAS号: 667427-75-0 Compound CID : 1081484分子式: C22H21NO4 分子量: 363.41IUPAC Name: 3-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-oneSMILES: CC1(CC2=CC(=C(C=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)OC)OC)CInChIKey: SNICUMZYPOCXCO-UHFFFAOYSA-NInChI: 1S/C22H21NO4/c1-22(2)12-14-10-18(25-3)19(26-4)11-15(14)20(23-22)16-9-13-7-5-6-8-17(13)27-21(16)24/h5-11H,12H2,1-4H3
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trans-Ned 19,荧光标记完整细胞中的NAADP受体CAS号: 1354235-96-3分子式: C30H31FN4O3 分子量: 514.59IUPAC Name: (1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acidSMILES: COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6FInChIKey: FUHCEERDBRGPQZ-LBNVMWSVSA-NInChI: See more
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TR 14035,整联蛋白α4β7和α4β1(VLA-4)拮抗剂CAS号: 232271-19-1 Compound CID : 9912743分子式: C24H21Cl2NO5 分子量: 474.33IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acidSMILES: COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)ClInChIKey: DRSJLVGDSNWQBI-SFHVURJKSA-NInChI: 1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
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TQS,α7nAChRs的正变构调节剂CAS号: 353483-92-8 Compound CID : 5038679分子式: C22H20N2O2S 分子量: 376.47IUPAC Name: 4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamideSMILES: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54InChIKey: SIZWDJIHABLBSP-UHFFFAOYSA-NInChI: 1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
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TM 5275 钠盐CAS号: 1103926-82-4 Compound CID : 53240409分子式: C28H27ClN3O5 · Na 分子量: 543.97IUPAC Name: sodium;2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-chlorobenzoateSMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+]InChIKey: JSHSGBIWNPQCQZ-UHFFFAOYSA-MInChI: 1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1
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TM N1324,GPR39激动剂CAS号: 1144477-35-9 Compound CID : 135634901分子式: C18H13ClFN7O 分子量: 397.79IUPAC Name: 4-(2-chloro-4-fluorophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-oneSMILES: CC1=NN(C2=C1C(CC(=O)N2)C3=C(C=C(C=C3)F)Cl)C4=NC=NC5=C4NC=N5InChIKey: CYQNVXRIWKKWQG-UHFFFAOYSA-NInChI: 1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
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Tiplaxtinin,PAI-1抑制剂CAS号: 393105-53-8 Compound CID : 6450819分子式: C24H16F3NO4 分子量: 439.38IUPAC Name: 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acidSMILES: C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)OInChIKey: ODXQFEWQSHNQNI-UHFFFAOYSA-NInChI: 1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
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THPN,Nur77激动剂CAS号: 100079-26-3 Compound CID : 3063200分子式: C15H22O4 分子量: 266.33IUPAC Name: 1-(3,4,5-trihydroxyphenyl)nonan-1-oneSMILES: CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)OInChIKey: NVFRHTFJDGAFQS-UHFFFAOYSA-NInChI: 1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
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2-ThioUTP tetrasodium salt,P2Y2激动剂CAS号: 1343364-70-4 Compound CID : 54591573分子式: C9H11N2Na4O14P3S 分子量: 588.13IUPAC Name: tetrasodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphateSMILES: C1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]InChIKey: QCBCNKBBEOQRRB-ODQFIEKDSA-JInChI: See more
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TH 588,MTH1抑制剂CAS号: 1609960-31-7 Compound CID : 73389731分子式: C13H12Cl2N4 分子量: 295.17IUPAC Name: 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamineSMILES: C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)NInChIKey: PNMYJIOQIAEYQL-UHFFFAOYSA-NInChI: 1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
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TH 257,变构LIMK 1/2抑制剂CAS号: 2244678-29-1 Compound CID : 137796294分子式: C24H26N2O3S 分子量: 422.54IUPAC Name: N-benzyl-N-butyl-4-(phenylsulfamoyl)benzamideSMILES: CCCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3InChIKey: VNCIWNGCMAKKEO-UHFFFAOYSA-NInChI: 1S/C24H26N2O3S/c1-2-3-18-26(19-20-10-6-4-7-11-20)24(27)21-14-16-23(17-15-21)30(28,29)25-22-12-8-5-9-13-22/h4-17,25H,2-3,18-19H2,1H3
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TFB-TBOA,EAAT1和EAAT2阻断剂CAS号: 480439-73-4 Compound CID : 52941382分子式: C19H17F3N2O6 分子量: 426.35IUPAC Name: (2S,3S)-2-amino-3-[[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methoxy]butanedioic acidSMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)COC(C(C(=O)O)N)C(=O)OInChIKey: LPWONNPEPDHEAI-GJZGRUSLSA-NInChI: 1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1
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