小分子和化合物库
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TC-MCH 7c,黑色素浓缩激素受体1(MCH1R)拮抗剂CAS号 : 864756-35-4 Compound CID : 11654412分子式: C24H25FN2O3 分子量: 408.47IUPAC Name: 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-oneSMILES: C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)FInChIKey: ANCFKYJMXNMYNZ-UHFFFAOYSA-NInChI: InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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MCHr1拮抗剂2CAS号 : 863115-70-2 Compound CID : 11464405分子式: C23H21FN2O5 分子量: 424.42IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamideSMILES: C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)CC4=CC5=C(C=C4)OCO5InChIKey: HHCYCBKPWYJVEB-UHFFFAOYSA-NInChI: InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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AZD1979CAS号 : 1254035-84-1(DMSO)分子式: C25H26N4O5 分子量: 462.50SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6
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AZD1979CAS号 : 1254035-84-1 Compound CID : 49801838分子式: C25H26N4O5 分子量: 462.50IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanoneSMILES: COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6InChIKey: BKKPIQPFRAPEAY-UHFFFAOYSA-NInChI: InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3
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AMG-076 free baseCAS号 : 693823-79-9 Compound CID : 10004545分子式: C26H33F3N2O2 分子量: 462.5IUPAC Name: 1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acidSMILES: CC1C2CN(CCC2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCC5)C(=O)OInChIKey: WAOZNBXSEVIAGX-MBOZVWFJSA-NInChI: InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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MK-5046CAS号 : 1022152-70-0 Compound CID : 49871766分子式: C20H18F6N4O 分子量: 444.37IUPAC Name: (2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-olSMILES: C1CC1(CC2=CN=C(N2)CC(C3=CC=C(C=C3)N4C=CC=N4)(C(F)(F)F)O)C(F)(F)FInChIKey: UJINBEQCDMOAHM-SFHVURJKSA-NInChI: InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
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ML 18,BRS-3拮抗剂CAS号 : 1422269-30-4 Compound CID : 91827363分子式: C32H35N5O5 分子量: 569.65IUPAC Name: (2S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-[(4-nitrophenyl)carbamoylamino]propanamideSMILES: COC1=CC=C(C=C1)C2(CCCCC2)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]InChIKey: JOKVJNCYOSFDGC-LJAQVGFWSA-NInChI: InChI=1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1
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GW 803430,MCH1拮抗剂CAS号 : 515141-51-2 Compound CID : 9826520分子式: C₂₅H₂₄ClN₃O₃S 分子量: 481.99IUPAC Name: 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-oneSMILES: COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OCCN5CCCC5InChIKey: MWULMTACIBZPGN-UHFFFAOYSA-NInChI: InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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(2R)-2-[[(4-chlorophenyl)amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamideCompound CID : 10254379IUPAC Name: (2R)-2-[[(4-chlorophenyl)amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamideSMILES: O=C(N[C@@H](C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NNc1ccc(cc1)ClInChIKey: SLTBMTIRYMGWLX-XMMPIXPASA-NInChI: InChI=1S/C26H26ClN5O2/c27-20-10-12-21(13-11-20)31-32-26(34)30-24(16-19-17-29-23-9-5-4-8-22(19)23)25(33)28-15-14-18-6-2-1-3-7-18/h1-13,17,24,29,31H,14-16H2,(H,28,33)(H2,30,32,34)/t24-/m1/s1
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1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-oneCompound CID : 24890862IUPAC Name: 1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-oneSMILES: CCO/N=C(\c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)CInChIKey: FPPIDMVDDSIXTQ-GKPLWNPISA-NInChI: InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26+
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2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acidCompound CID : 72944991IUPAC Name: 2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acidSMILES: OC(=O)C[C@H]1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)CInChIKey: PPSMYAUEJRADFE-HXUWFJFHSA-NInChI: InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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![(2R)-2-[[(4-chlorophenyl)amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/R/6/R608930.png)
![1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-one](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/E/6/E609250.png)
![2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/R/6/R609481.png)