小分子和化合物库
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Ferrostatin-1 (Fer-1),雌激素诱导的肥大病抑制剂CAS号: 347174-05-4分子式: C15H22N2O2 分子量: 262.35IUPAC Name: ethyl 3-amino-4-(cyclohexylamino)benzoateSMILES: CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)NInChIKey: UJHBVMHOBZBWMX-UHFFFAOYSA-NInChI: 1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3
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光甘草定CAS号: 59870-68-7分子式: C20H20O4 分子量: 324.37IUPAC Name: 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diolSMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)CInChIKey: LBQIJVLKGVZRIW-ZDUSSCGKSA-NInChI: 1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
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GDC-0349CAS号: 1207360-89-1分子式: C24H32N6O3 分子量: 452.55IUPAC Name: 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]ureaSMILES: CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOCC5CInChIKey: RGJOJUGRHPQXGF-INIZCTEOSA-NInChI: 1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1
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Golgicide A,GBF1抑制剂CAS号: 1139889-93-2分子式: C17H14F2N2 分子量: 284.3IUPAC Name: (3aR,9bS)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolineSMILES: C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4InChIKey: NJZHEQOUHLZCOX-FTLRAWMYSA-NInChI: 1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16?/m0/s1
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格列齐特CAS号: 21187-98-4 EC号: 244-260-5分子式: C15H21N3O3S 分子量: 323.41IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylureaSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2InChIKey: BOVGTQGAOIONJV-UHFFFAOYSA-NInChI: 1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)
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二磷酸组胺 一水合物分子式: C5H9N3·2H3PO4·H2O 分子量: 325.15IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine;phosphoric acidSMILES: C1=C(NC=N1)CCN.OP(=O)(O)O.OP(=O)(O)OInChIKey: ZHIBQGJKHVBLJJ-UHFFFAOYSA-NInChI: 1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)
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1-氨基-3,6,9-三噁-11-十一醇CAS号: 86770-74-3分子式: C8H19NO4 分子量: 193.24IUPAC Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanolSMILES: C(COCCOCCOCCO)NInChIKey: ANOJXMUSDYSKET-UHFFFAOYSA-NInChI: 1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2
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(R)-5-羟甲基托特罗定CAS号: 207679-81-0分子式: C22H31NO2 分子量: 341.49IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenolSMILES: CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)CInChIKey: DUXZAXCGJSBGDW-HXUWFJFHSA-NInChI: 1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
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