小分子和化合物库
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甲氯芬那酸钠分子式: C14H10Cl2NNaO2 分子量: 318.13IUPAC Name: sodium;2-(2,6-dichloro-3-methylanilino)benzoateSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]InChIKey: OGPIIGMUPMPMNT-UHFFFAOYSA-MInChI: 1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
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酪氨酸激酶抑制剂 AG 494CAS号: 133550-35-3 Compound CID : 5328771分子式: C16H12N2O3 分子量: 280.28IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamideSMILES: C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#NInChIKey: HKHOVJYOELRGMV-XYOKQWHBSA-NInChI: 1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
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7-甲基鸟苷CAS号: 20244-86-4分子式: C11H16N5O5+ 分子量: 298.28IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purin-9-ium-6-oneSMILES: CN1C=[N+](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)OInChIKey: OGHAROSJZRTIOK-KQYNXXCUSA-OInChI: 1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
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左旋溶肉瘤素(L-PAM )CAS号: 148-82-3分子式: C13H18Cl2N2O2 分子量: 305.2IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCClInChIKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-NInChI: 1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
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3-乙酰吡啶腺嘌呤二核苷酸(氧化型)APADCAS号: 86-08-8分子式: C22H28N6O14P2 分子量: 662.44IUPAC Name: [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphateSMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)OInChIKey: KPVQNXLUPNWQHM-RBEMOOQDSA-NInChI: See more
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克拉维酸钾CAS号: 61177-45-5 EC号: 262-640-9分子式: C8H8NO5K 分子量: 237.25IUPAC Name: potassium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: C1C2N(C1=O)C(C(=CCO)O2)C(=O)[O-].[K+]InChIKey: ABVRVIZBZKUTMK-JSYANWSFSA-MInChI: 1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
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2,3-二氢-2,2,6-三甲基苯甲醛CAS号: 116-26-7分子式: C10H14O 分子量: 150.22IUPAC Name: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehydeSMILES: CC1=C(C(CC=C1)(C)C)C=OInChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-NInChI: 1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
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