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柚皮苷CAS号: 10236-47-2 EC号: 233-566-4分子式: C27H32O14 分子量: 580.53IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)OInChIKey: DFPMSGMNTNDNHN-ZPHOTFPESA-NInChI: See more
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SB-203580,p38 MAPK抑制剂CAS号: 152121-47-6 Compound CID : 176155分子式: C21H16FN3OS 分子量: 377.43IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridineSMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)FInChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-NInChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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木犀草素分子式: C15H10O6 分子量: 286.24IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-NInChI: 1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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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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N-乙酰基-4-氟-DL-苯丙氨酸CAS号: 17481-06-0分子式: C11H12FNO3 分子量: 225.22IUPAC Name: 2-acetamido-3-(4-fluorophenyl)propanoic acidSMILES: CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)OInChIKey: NRLBRFQYMSTLJK-UHFFFAOYSA-NInChI: 1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
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FluphenazineCAS号: 69-23-8分子式: C22H26F3N3OS 分子量: 437.53IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanolSMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOInChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-NInChI: 1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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Cambinol,SIRT1 / 2抑制剂CAS号: 14513-15-6分子式: C21H16N2O2S 分子量: 360.43IUPAC Name: 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-oneSMILES: C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)OInChIKey: RVNSQVIUFZVNAU-UHFFFAOYSA-NInChI: 1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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IC 261,CK1δ和CK1ε抑制剂CAS号: 186611-52-9分子式: C18H17NO4 分子量: 311.34IUPAC Name: (3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-oneSMILES: COC1=CC(=C(C(=C1)OC)C=C2C3=CC=CC=C3NC2=O)OCInChIKey: JBJYTZXCZDNOJW-JLHYYAGUSA-NInChI: 1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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2-TEDC,5、12、15脂氧合酶抑制剂CAS号: 132465-10-2 Compound CID : 6069552分子式: C16H13NO4S 分子量: 315.34IUPAC Name: 2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CSC(=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#NInChIKey: KCGLTUBCAGZLHP-XYOKQWHBSA-NInChI: 1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
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DuP 697,环氧合酶2（COX-2）抑制剂CAS号: 88149-94-4分子式: C17H12BrFO2S2 分子量: 411.3IUPAC Name: 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiopheneSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)FInChIKey: AJFTZWGGHJXZOB-UHFFFAOYSA-NInChI: 1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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ImazodanCAS号: 84243-58-3分子式: C13H12N4O 分子量: 240.26IUPAC Name: 3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-oneSMILES: C1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3InChIKey: VXMYWVMXSWJFCV-UHFFFAOYSA-NInChI: 1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)
