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小分子和化合物库
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O,O-二甲基硫代磷酰胺CAS号: 17321-47-0分子式: C2H8NO2PS 分子量: 141.13IUPAC Name: [amino(methoxy)phosphinothioyl]oxymethaneSMILES: COP(=S)(N)OCInChIKey: NKYPKIVMIGIWOB-UHFFFAOYSA-NInChI: 1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)
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57 反式-4-苯基吡咯烷-3-羧酸甲酯盐酸盐CAS号: 2059917-87-0 Compound CID : 122360175分子式: C12H16ClNO2 分子量: 241.72IUPAC Name: methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate;hydrochlorideSMILES: COC(=O)C1CNCC1C2=CC=CC=C2.ClInChIKey: LBUJDEHQFGPGOH-VZXYPILPSA-NInChI: 1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m0./s1
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Boc-D-FMK,不可逆的一般caspase抑制剂CAS号: 187389-53-3分子式: C11H18FNO5 分子量: 263.26IUPAC Name: methyl (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoateSMILES: CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)CFInChIKey: MXOOUCRHWJYCAL-ZETCQYMHSA-NInChI: 1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)/t7-/m0/s1
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RuBi-GABA,新型笼状GABA化合物CAS号: 1028141-88-9 Compound CID : 129316180分子式: C42H39F6N5O2P2Ru 分子量: 922.8IUPAC Name: 4-aminobutanoate;2-pyridin-2-ylpyridine;ruthenium(2+);triphenylphosphane;hexafluorophosphateSMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(CC(=O)[O-])CN.F[P-](F)(F)(F)(F)F.[Ru+2]InChIKey: SWFWLLYVSYURHZ-UHFFFAOYSA-MInChI: See more
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ION NaTRIUM Green™-2 TMA⁺盐分子式: C56H81Cl2N5O12 分子量: 1087.19
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二甲氧基姜黄素CAS号: 160096-59-3分子式: C23H24O6 分子量: 396.44IUPAC Name: (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dioneSMILES: COC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC)OC)OCInChIKey: HMJSBVCDPKODEX-NXZHAISVSA-NInChI: 1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-14H,15H2,1-4H3/b9-5+,10-6+
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SKI-I,特定的非脂质鞘氨醇激酶（SK）抑制剂CAS号: 306301-68-8 Compound CID : 137269090分子式: C25H18N4O2 分子量: 406.44IUPAC Name: N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-naphthalen-2-ylpyrazolidine-3-carboxamideSMILES: C1C(NNC1C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O)C4=CC5=CC=CC=C5C=C4InChIKey: LMCALHGHWCFFHD-CVKSISIWSA-NInChI: 1S/C25H22N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-13,15,22-23,27-28,30H,14H2,(H,29,31)/b26-15+
