STAT
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4-[O-[(4-甲氧基苯基)磺酰基]肟] -2,6-二甲基-2,5-环己二烯-1,4-二酮CAS号 : 321695-57-2 Compound CID : 2221149分子式: C15H15NO5S 分子量: 321.35IUPAC Name: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonateSMILES: CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)CInChIKey: VEWFTYOFWIXCIO-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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ACHP,IKKα和IKKβ抑制剂CAS号 : 406208-42-2 Compound CID : 135465539分子式: C21H24N4O2 分子量: 364.44IUPAC Name: 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrileSMILES: C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)OInChIKey: DYVFBWXIOCLHPP-UHFFFAOYSA-NInChI: InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
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仙茅苷CAS号 : 85643-19-2 Compound CID : 158845分子式: C22H26O11 分子量: 466.44IUPAC Name: [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoateSMILES: COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)OInChIKey: SJJRKHVKAXVFJQ-QKYBYQKWSA-NInChI: InChI=1S/C22H26O11/c1-29-14-4-3-5-15(30-2)17(14)21(28)31-10-11-8-12(24)6-7-13(11)32-22-20(27)19(26)18(25)16(9-23)33-22/h3-8,16,18-20,22-27H,9-10H2,1-2H3/t16-,18-,19+,20-,22-/m1/s1
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BML-260CAS号 : 101439-76-3 Compound CID : 508165分子式: C17H11NO3S2 分子量: 341.4IUPAC Name: 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acidSMILES: C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)OInChIKey: HJGHAHOKZBWVGK-UHFFFAOYSA-NInChI: InChI=1S/C17H11NO3S2/c19-15-14(10-11-4-2-1-3-5-11)23-17(22)18(15)13-8-6-12(7-9-13)16(20)21/h1-10H,(H,20,21)
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EquisetinCAS号 : 57749-43-6 Compound CID : 54684703分子式: C22H31NO4 分子量: 373.49IUPAC Name: (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dioneSMILES: CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(N(C3=O)C)CO)O)CInChIKey: QNQBPPQLRODXET-AIMHRHHOSA-NInChI: InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1
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H-gamma-D-Glu-Trp-OHCAS号 : 229305-39-9 Compound CID : 6992140分子式: C16H19N3O5 分子量: 333.34IUPAC Name: (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)NInChIKey: CATMPQFFVNKDEY-YPMHNXCESA-NInChI: InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1
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15(R)-Lipoxin A4CAS号 : 171030-11-8分子式: C20H32O5 分子量: 352.5IUPAC Name: (5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acidSMILES: CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)OInChIKey: IXAQOQZEOGMIQS-JEWNPAEBSA-NInChI: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19+/m1/s1
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培哚普利CAS号 : 82834-16-0 Compound CID : 107807分子式: C19H32N2O5 分子量: 368.47IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acidSMILES: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OInChIKey: IPVQLZZIHOAWMC-QXKUPLGCSA-NInChI: InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
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巴柳氮CAS号 : 80573-04-2 Compound CID : 54585分子式: C17H15N3O6 分子量: 357.32IUPAC Name: 5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acidSMILES: C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)OInChIKey: IPOKCKJONYRRHP-UHFFFAOYSA-NInChI: InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)
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巴柳氮二钠CAS号 : 213594-60-6 Compound CID : 135413496分子式: C17H13N3O6•Na 分子量: 355.3022299IUPAC Name: disodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoateSMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.[Na+].[Na+]InChIKey: CKMOQBVBEGCJGW-UHFFFAOYSA-LInChI: InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2
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(R)-LisofyllineCAS号 : 100324-81-0分子式: C13H20N4O3 分子量: 280.32IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dioneSMILES: CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OInChIKey: NSMXQKNUPPXBRG-SECBINFHSA-NInChI: InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1
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CardamoninCAS号 : 18956-16-6 Compound CID : 641785分子式: C6H5ClN2O4S 分子量: 270.28IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-oneSMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)OInChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-NInChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+