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919,小分子IDO途径抑制剂CAS号 : 1402836-58-1 Compound CID : 66558287分子式: C18H22N2O 分子量: 282.38IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanolSMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)OInChIKey: YTRRAUACYORZLX-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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齐留通(Zileuton)CAS号 : 111406-87-2 Compound CID : 60490分子式: C11H12N2O2S 分子量: 236.29IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyureaSMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)OInChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-NInChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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PF-06840003,IDO-1 抑制剂CAS号 : 198474-05-4 Compound CID : 23063810分子式: C12H9FN2O2 分子量: 232.21IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dioneSMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)FInChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-NInChI: InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
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MK886,脂氧合酶抑制剂CAS号 : 118414-82-7 Compound CID : 3651377分子式: C27H34ClNO2S 分子量: 472.08IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acidSMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)ClInChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-NInChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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Epacadostat (INCB024360)CAS号 : 1204669-58-8 Compound CID : 135564890分子式: C11H13BrFN7O4S 分子量: 438.23IUPAC Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamideSMILES: C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)FInChIKey: FBKMWOJEPMPVTQ-UHFFFAOYSA-NInChI: InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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Linrodostat (BMS-986205)CAS号 : 1923833-60-6 Compound CID : 121328278分子式: C24H24ClFN2O 分子量: 410.91IUPAC Name: (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamideSMILES: CC(C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)ClInChIKey: KRTIYQIPSAGSBP-KLAILNCOSA-NInChI: InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
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MK886CAS号 : 118414-82-7 Compound CID : 3651377分子式: C27H34ClNO2S 分子量: 472.08IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acidSMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)ClInChIKey: QAOAOVKBIIKRNL-UHFFFAOYSA-NInChI: InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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NLG919CAS号 : 1402836-58-1 Compound CID : 66558287分子式: C18H22N2O 分子量: 282.38IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanolSMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)OInChIKey: YTRRAUACYORZLX-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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PF-06840003CAS号 : 198474-05-4 Compound CID : 23063810分子式: C12H9FN2O2 分子量: 232.21IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dioneSMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)FInChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-NInChI: InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
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AtuliflaponCAS号 : 2041075-86-7(DMSO)分子式: C24H26N6O3 分子量: 446.50SMILES: CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)C3CCCCC3C(=O)NC4=C5C(=O)NCCN5N=C4
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DiflapolinCAS号 : 724453-98-9(DMSO)分子式: C22H17Cl2N3O2S 分子量: 458.4SMILES: CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl
