小分子和化合物库
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LY2183240,花生四烯酸摄取抑制剂CAS号 : 874902-19-9 Compound CID : 11507802分子式: C17H17N5O 分子量: 307.35IUPAC Name: N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamideSMILES: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-NInChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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花生四烯酸氟膦酸甲酯CAS号 : 188404-10-6 Compound CID : 10429254分子式: C21H36FO2P 分子量: 370.5IUPAC Name: (5Z,8Z,11Z,14Z)-1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraeneSMILES: CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(OC)FInChIKey: KWKZCGMJGHHOKJ-ZKWNWVNESA-NInChI: InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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棕榈酰基异丙基酰胺CAS号 : 189939-61-5 Compound CID : 5063962分子式: C19H39NO 分子量: 297.52IUPAC Name: N-propan-2-ylhexadecanamideSMILES: CCCCCCCCCCCCCCCC(=O)NC(C)CInChIKey: TZYVUGCYYQOTQR-UHFFFAOYSA-NInChI: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
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JNJ-1661010CAS号 : 681136-29-8(DMSO)分子式: C19H19N5OS 分子量: 365.45SMILES: O=C(NC1=CC=CC=C1)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4
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PF-3845CAS号 : 1196109-52-0(DMSO)分子式: C24H23F3N4O2 分子量: 456.46SMILES: FC(F)(F)C1=CN=C(OC2=CC(=CC=C2)CC3CCN(CC3)C(=O)NC4=CN=CC=C4)C=C1
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URB597CAS号 : 546141-08-6(DMSO)分子式: C20H22N2O3 分子量: 338.4SMILES: NC(=O)C1=CC(=CC=C1)C2=CC=CC(=C2)OC(=O)NC3CCCCC3
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BIA 10-2474CAS号 : 1233855-46-3 Compound CID : 46831476分子式: C16H20N4O2 分子量: 300.36IUPAC Name: N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamideSMILES: CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]InChIKey: DOWVMJFBDGWVML-UHFFFAOYSA-NInChI: InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
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4,4'-二氨基二苯砜(DDS)分子式: C12H12N2O2S 分子量: 248.3IUPAC Name: 4-(4-aminophenyl)sulfonylanilineSMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NInChIKey: MQJKPEGWNLWLTK-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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LY2183240CAS号 : 874902-19-9 Compound CID : 11507802分子式: C17H17N5O 分子量: 307.35IUPAC Name: N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamideSMILES: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-NInChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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甲氧氯普胺分子式: C14H22ClN3O2 分子量: 299.8IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)ClInChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-oneCompound CID : 935390分子式: C15H19N3OS 分子量: 289.4IUPAC Name: 3-(2-piperidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-oneSMILES: C1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=SInChIKey: IMZTYDPFGJUJEO-UHFFFAOYSA-NInChI: InChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(20)18(14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)
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