小分子和化合物库
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乌苯美司CAS号: 58970-76-6 EC号: 261-529-2分子式: C16H24N2O4 分子量: 308.37IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)OInChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-NInChI: 1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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二乙酰胺三氮脒(DIZE)分子式: C14H15N7.2C4H7NO3 分子量: 515.52IUPAC Name: 2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamideSMILES: CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)NInChIKey: OKQSSSVVBOUMNZ-UHFFFAOYSA-NInChI: 1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
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地塞米松磷酸钠CAS号: 55203-24-2分子式: C22H28FNa2O8P 分子量: 516.4IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphateSMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]InChIKey: PLCQGRYPOISRTQ-FCJDYXGNSA-LInChI: See more
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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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盐酸异丙肾上腺素分子式: C11H17NO3·HCl 分子量: 247.72IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochlorideSMILES: CC(C)NCC(C1=CC(=C(C=C1)O)O)O.ClInChIKey: IROWCYIEJAOFOW-UHFFFAOYSA-NInChI: 1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
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偏磷酸钡CAS号: 13762-83-9分子式: Ba(PO3)2 分子量: 295.27SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[Ba+2]InChIKey: XNJIKBGDNBEQME-UHFFFAOYSA-LInChI: 1S/Ba.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
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5,6-二氢尿苷CAS号: 5627-05-4分子式: C9H14N2O6 分子量: 246.22IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dioneSMILES: C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OInChIKey: ZPTBLXKRQACLCR-XVFCMESISA-NInChI: 1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
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单-(6-氨基-6-去氧)-β-环糊精CAS号: 29390-67-8分子式: C42H71NO34 分子量: 1134IUPAC Name: See moreSMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)NInChIKey: OZBFLQITCMCIOY-FOUAGVGXSA-NInChI: See more
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(S)-3,5-DHPG,I类mGlu激动剂CAS号: 162870-29-3分子式: C8H9NO4 分子量: 183.16IUPAC Name: (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acidSMILES: C1=C(C=C(C=C1O)O)C(C(=O)O)NInChIKey: HOOWCUZPEFNHDT-ZETCQYMHSA-NInChI: 1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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