小分子和化合物库
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AM 4668,FFA1(GPR40)激动剂CAS号 : 1011531-27-3 Compound CID : 24897670分子式: C24H19F3O4S 分子量: 488.48IUPAC Name: (3S)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acidSMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=C(C=C3)C(CC(=O)O)C4=NOC=C4InChIKey: BMLGZNVPWRUVNM-IBGZPJMESA-NInChI: InChI=1S/C24H19F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-11,19H,12-13H2,1H3,(H,30,31)/t19-/m0/s1
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GW9508CAS号 : 885101-89-3(DMSO)分子式: C22H21NO3 分子量: 347.41SMILES: OC(=O)CCC1=CC=C(NCC2=CC=CC(=C2)OC3=CC=CC=C3)C=C1
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罗格列酮CAS号 : 122320-73-4(DMSO)分子式: C18H19N3O3S 分子量: 357.43SMILES: CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C3=CC=CC=N3
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油酸分子式: CH3(CH2)7CH=CH(CH2)7COOH 分子量: 282.46IUPAC Name: (Z)-octadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-NInChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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罗格列酮CAS号 : 122320-73-4 Compound CID : 77999分子式: C18H19N3O3S 分子量: 357.43IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-NInChI: InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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TAK-875CAS号 : 1000413-72-8 Compound CID : 24857286分子式: C29H32O7S 分子量: 524.64IUPAC Name: 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acidSMILES: CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCS(=O)(=O)CInChIKey: BZCALJIHZVNMGJ-HSZRJFAPSA-NInChI: InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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TUG-770CAS号 : 1402601-82-4 Compound CID : 66553168分子式: C19H14FNO2 分子量: 307.32IUPAC Name: 3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]-2-fluorophenyl]propanoic acidSMILES: C1=CC=C(C(=C1)CC#N)C#CC2=CC(=C(C=C2)CCC(=O)O)FInChIKey: KIZUBVPJNPVIIN-UHFFFAOYSA-NInChI: InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
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