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小分子和化合物库
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4-氨基异噻唑盐酸盐CAS号: 64527-29-3分子式: C3H4N2S·HCl 分子量: 136.5IUPAC Name: 1,2-thiazol-4-amine;hydrochlorideSMILES: C1=C(C=NS1)N.ClInChIKey: HZDCYJWMJZADPX-UHFFFAOYSA-NInChI: 1S/C3H4N2S.ClH/c4-3-1-5-6-2-3;/h1-2H,4H2;1H
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四对甲苯基卟啉铁CAS号: 19496-18-5 Compound CID : 132451763分子式: C48H36ClFeN4 分子量: 760.12IUPAC Name: iron(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide;chlorideSMILES: CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)[N-]3.[Cl-].[Fe+3]InChIKey: ULLBMEVRMAFVTQ-UHFFFAOYSA-MInChI: See more
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月桂醇月桂酸酯CAS号: 13945-76-1分子式: C24H48O2 分子量: 368.64IUPAC Name: dodecyl dodecanoateSMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCCInChIKey: CYUUZGXOQDCCGH-UHFFFAOYSA-NInChI: 1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
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左旋甲状腺素钙CAS号: 151533-22-1分子式: C20H23CaN7O6 分子量: 497.52IUPAC Name: calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioateSMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]InChIKey: VWBBRFHSPXRJQD-QNTKWALQSA-LInChI: See more
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柠檬酸铅CAS号: 512-26-5分子式: C12H10O14Pb3 分子量: 999.8IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate;lead(2+)SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Pb+2].[Pb+2].[Pb+2]InChIKey: HOQPTLCRWVZIQZ-UHFFFAOYSA-HInChI: 1S/2C6H8O7.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
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4-（4-羟基丁-1-炔基）苯甲酸甲酯CAS号: 123910-86-1分子式: C12H12O3 分子量: 204.22IUPAC Name: methyl 4-(4-hydroxybut-1-ynyl)benzoateSMILES: COC(=O)C1=CC=C(C=C1)C#CCCOInChIKey: FCRMPVNWMHHKSE-UHFFFAOYSA-NInChI: 1S/C12H12O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,3,9H2,1H3
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甲基4-(4-羟基丁基)苯甲酸酯CAS号: 123910-88-3分子式: C12H16O3 分子量: 208.25IUPAC Name: methyl 4-(4-hydroxybutyl)benzoateSMILES: COC(=O)C1=CC=C(C=C1)CCCCOInChIKey: KVKWRSNRAXOBFC-UHFFFAOYSA-NInChI: 1S/C12H16O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
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1-苄基-3-氟吡咯烷-3-羧酸甲酯CAS号: 1279669-60-1分子式: C13H16FNO2 分子量: 237.27IUPAC Name: methyl 1-benzyl-3-fluoropyrrolidine-3-carboxylateSMILES: COC(=O)C1(CCN(C1)CC2=CC=CC=C2)FInChIKey: UQMVXIDFYRQQIS-UHFFFAOYSA-NInChI: 1S/C13H16FNO2/c1-17-12(16)13(14)7-8-15(10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
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51 6-哌嗪-1-烟酸甲酯CAS号: 132144-03-7分子式: C11H15N3O2 分子量: 221.26IUPAC Name: methyl 6-piperazin-1-ylpyridine-3-carboxylateSMILES: COC(=O)C1=CN=C(C=C1)N2CCNCC2InChIKey: HMFYTTJLIFNUCP-UHFFFAOYSA-NInChI: 1S/C11H15N3O2/c1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
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2-(2-甲氧基苯氧基)-1-(4-甲氧基苯基)乙酮CAS号: 19513-80-5分子式: C16H16O4 分子量: 272.3IUPAC Name: 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanoneSMILES: COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2OCInChIKey: XZENRLBGEKSCQB-UHFFFAOYSA-NInChI: 1S/C16H16O4/c1-18-13-9-7-12(8-10-13)14(17)11-20-16-6-4-3-5-15(16)19-2/h3-10H,11H2,1-2H3
