小分子和化合物库
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CP 99994 二盐酸盐CAS号: 145148-39-6 Compound CID : 68466923分子式: C19H24N2O•2HCl 分子量: 369.33SMILES: COC(C=CC=C3)=C3CN[C@@H]1[C@H]([C@]2=CC=CC=C2)NCCC1.Cl.ClInChIKey: WNHRFWPLRATIDT-FFUVTKDNSA-N
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COR 170CAS号: 1048039-15-1分子式: C31H36N2O2 分子量: 468.63IUPAC Name: N-(1-adamantyl)-4-oxo-1-pentyl-6-phenylquinoline-3-carboxamideSMILES: CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5InChIKey: MSJISJDTJJYBFT-UHFFFAOYSA-NInChI: 1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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Co 101244盐酸盐CAS号: 193356-17-1分子式: C21H27NO3•HCl 分子量: 377.9IUPAC Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochlorideSMILES: CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.ClInChIKey: WFFZHKKSIDENAJ-UHFFFAOYSA-NInChI: 1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H
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(±)-Clopidogrel hydrochlorideCAS号: 130209-90-4分子式: C16H16NO2SCl·HCl 分子量: 358.28IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochlorideSMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.ClInChIKey: XIHVAFJSGWDBGA-UHFFFAOYSA-NInChI: 1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;/h2-5,7,9,15H,6,8,10H2,1H3;1H
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Cl-4AS-1,甾体雄激素受体激动剂CAS号: 188589-66-4 Compound CID : 9932961分子式: C26H33ClN2O2 分子量: 441.01IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamideSMILES: CC12CCC3C(C1CCC2C(=O)NC4=CC=CC=C4Cl)CCC5C3(C=CC(=O)N5C)CInChIKey: CTVXDPDUOKQBKZ-GFNRTWGOSA-NInChI: 1S/C26H33ClN2O2/c1-25-14-12-18-16(8-11-22-26(18,2)15-13-23(30)29(22)3)17(25)9-10-19(25)24(31)28-21-7-5-4-6-20(21)27/h4-7,13,15-19,22H,8-12,14H2,1-3H3,(H,28,31)/t16-,17-,18-,19+,22+,25-,26+/m0/s1
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Chlorisondamine diiodideCAS号: 96750-66-2 Compound CID : 16078959分子式: C14H20Cl4I2N2 分子量: 611.95IUPAC Name: trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium;diiodideSMILES: C[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)CC[N+](C)(C)C.[I-].[I-]InChIKey: FPNVAOZHQUJJJQ-UHFFFAOYSA-LInChI: 1S/C14H20Cl4N2.2HI/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15;;/h5-8H2,1-4H3;2*1H/q+2;;/p-2
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CGS 20625,苯二氮卓部分激动剂CAS号: 111205-55-1分子式: C18H19N3O2 分子量: 309.36IUPAC Name: 4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-oneSMILES: COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2InChIKey: UBLXQFIFWUEVGJ-UHFFFAOYSA-NInChI: 1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3
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CGP 71683 盐酸盐CAS号: 192322-50-2分子式: C26H29N5O2S•HCl 分子量: 512.07IUPAC Name: N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochlorideSMILES: C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54.ClInChIKey: DIQDKUNCSVFGHH-UHFFFAOYSA-NInChI: 1S/C26H29N5O2S.ClH/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24;/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31);1H
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C 021 二盐酸盐CAS号: 1784252-84-1 Compound CID : 56972238分子式: C27H41N5O2•2HCl 分子量: 540.57IUPAC Name: N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine;dihydrochlorideSMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCCC4)NC5CCCCCC5)OC.Cl.ClInChIKey: GKJKNYQUFAPLOQ-UHFFFAOYSA-NInChI: 1S/C27H41N5O2.2ClH/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31;;/h18-21H,3-17H2,1-2H3,(H,28,29,30);2*1H
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BTZO 1,MIF粘合剂CAS号: 99420-15-2分子式: C13H8N2OS 分子量: 240.28IUPAC Name: 2-pyridin-2-yl-1,3-benzothiazin-4-oneSMILES: C1=CC=C2C(=C1)C(=O)N=C(S2)C3=CC=CC=N3InChIKey: GBAKVEWPYUIGHN-UHFFFAOYSA-NInChI: 1S/C13H8N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8H
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BP 554 马来酸盐CAS号: 1221401-95-1 Compound CID : 56972150分子式: C20H24N2O3•C4H4O4 分子量: 456.48IUPAC Name: 1-[3-(1,3-benzodioxol-5-yloxy)propyl]-4-phenylpiperazine;(Z)-but-2-enedioic acidSMILES: C1CN(CCN1CCCOC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)OInChIKey: NBCXNOHQTALBRA-BTJKTKAUSA-NInChI: 1S/C20H24N2O3.C4H4O4/c1-2-5-17(6-3-1)22-12-10-21(11-13-22)9-4-14-23-18-7-8-19-20(15-18)25-16-24-19;5-3(6)1-2-4(7)8/h1-3,5-8,15H,4,9-14,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
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BMS 193885,竞争性NPY Y1受体拮抗剂CAS号: 679839-66-8 Compound CID : 56972234分子式: C33H42N4O6•C3H6O3 分子量: 680.79IUPAC Name: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acidSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC.CC(C(=O)O)OInChIKey: BYHJIPSVXAFCDI-WNQIDUERSA-NInChI: See more
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