小分子和化合物库
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氧化型辅酶II 二钠(β-NADP-Na₂)分子式: C21H26N7Na2O17P3 分子量: 787.37IUPAC Name: See moreSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O)C(=O)N.[Na+].[Na+]InChIKey: WSDDJLMGYRLUKR-WUEGHLCSSA-LInChI: See more
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环磷酰胺,一水分子式: C7H15Cl2N2O2P·H2O 分子量: 279.1IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;hydrateSMILES: C1CNP(=O)(OC1)N(CCCl)CCCl.OInChIKey: PWOQRKCAHTVFLB-UHFFFAOYSA-NInChI: 1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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UNC2025CAS号: 1429881-91-3分子式: C28H40N6O 分子量: 476.66IUPAC Name: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-olSMILES: CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)CInChIKey: MJSHVHLADKXCML-UHFFFAOYSA-NInChI: 1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)
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(2-氯吡啶-4-基)甲胺盐酸盐CAS号: 916210-98-5 Compound CID : 66570668分子式: C6H8Cl2N2 分子量: 179.05IUPAC Name: (2-chloropyridin-4-yl)methanamine;hydrochlorideSMILES: C1=CN=C(C=C1CN)Cl.ClInChIKey: BWSUKLOBJGMGCJ-UHFFFAOYSA-NInChI: 1S/C6H7ClN2.ClH/c7-6-3-5(4-8)1-2-9-6;/h1-3H,4,8H2;1H
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N-乙酰半胱氨酸酰胺(NACA)CAS号: 38520-57-9分子式: C5H10N2O2S 分子量: 162.21IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanamideSMILES: CC(=O)NC(CS)C(=O)NInChIKey: UJCHIZDEQZMODR-BYPYZUCNSA-NInChI: 1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1
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曲地匹坦(Tradipitant)CAS号: 622370-35-8 Compound CID : 9916461分子式: C28H16ClF6N5O 分子量: 587.903IUPAC Name: [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanoneSMILES: C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)ClInChIKey: CAVRKWRKTNINFF-UHFFFAOYSA-NInChI: 1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
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N¹-乙酰精胺 三盐酸盐CAS号: 77928-70-2 Compound CID : 16211018分子式: C12H28N4O · 3HCl 分子量: 353.76IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide;trihydrochlorideSMILES: CC(=O)NCCCNCCCCNCCCN.Cl.Cl.ClInChIKey: QQSPUTBJDXPUCR-UHFFFAOYSA-NInChI: 1S/C12H28N4O.3ClH/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13;;;/h14-15H,2-11,13H2,1H3,(H,16,17);3*1H
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5-氯噻唑-2-胺CAS号: 41663-73-4分子式: C3H3ClN2S 分子量: 134.59IUPAC Name: 5-chloro-1,3-thiazol-2-amineSMILES: C1=C(SC(=N1)N)ClInChIKey: SWQWTDAWUSBMGA-UHFFFAOYSA-NInChI: 1S/C3H3ClN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
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6-氯-2,3-二氢-1H-吡咯并[3,2-c]吡啶CAS号: 23596-25-0分子式: C7H7ClN2 分子量: 154.60IUPAC Name: 6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridineSMILES: C1CNC2=CC(=NC=C21)ClInChIKey: WSJKRCBUBLIDBF-UHFFFAOYSA-NInChI: 1S/C7H7ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h3-4,9H,1-2H2
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