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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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白藜芦醇分子式: C14H12O3 分子量: 228.24IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-NInChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2-(2,6-二氯苯氨基)苯乙酸CAS号 : 15307-86-5分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)ClInChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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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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甲氯芬那酸分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acidSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)ClInChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/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)
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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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氟灭酸分子式: C14H10F3NO2 分子量: 281.23IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)FInChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-NInChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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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)
