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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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RS504393,CCR2趋化因子受体拮抗剂CAS号 : 300816-15-3 Compound CID : 9953769分子式: C25H27N3O3 分子量: 417.5IUPAC Name: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-oneSMILES: CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)CInChIKey: ODNICNWASXKNNQ-UHFFFAOYSA-NInChI: InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
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西尼昔洛韦CAS号 : 497223-25-3 Compound CID : 11285792分子式: C41H52N4O4S 分子量: 696.95IUPAC Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamideSMILES: CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)CInChIKey: PNDKCRDVVKJPKG-WHERJAGFSA-NInChI: InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
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LM 10,色氨酸2,3-二加氧酶(TDO)抑制剂CAS号 : 1316695-35-8 Compound CID : 135743630分子式: C11H8FN5 分子量: 229.21IUPAC Name: 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indoleSMILES: C1=CC2=C(C=C1F)NC=C2C=CC3=NNN=N3InChIKey: JDBSZVDIUIRSDG-DAFODLJHSA-NInChI: InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
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RS 102895CAS号 : 300815-41-2 Compound CID : 16759153分子式: C21H21F3N2O2 分子量: 390.40IUPAC Name: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochlorideSMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.ClInChIKey: KRRISOFSWVKYBF-UHFFFAOYSA-NInChI: InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
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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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LM 10CAS号 : 1316695-35-8 Compound CID : 135743630分子式: C11H8FN5 分子量: 229.21IUPAC Name: 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indoleSMILES: C1=CC2=C(C=C1F)NC=C2C=CC3=NNN=N3InChIKey: JDBSZVDIUIRSDG-DAFODLJHSA-NInChI: InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
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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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普乐沙福CAS号 : 110078-46-1 Compound CID : 65015分子式: C28H54N8 分子量: 502.78IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecaneSMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-NInChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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RS 102895盐酸盐CAS号 : 300815-41-2 Compound CID : 16759153分子式: C21H21F3N2O2 分子量: 390.40IUPAC Name: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochlorideSMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.ClInChIKey: KRRISOFSWVKYBF-UHFFFAOYSA-NInChI: InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
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CCR2-RA-[R]CAS号 : 512177-83-2 Compound CID : 12093170分子式: C18H19ClFNO3 分子量: 351.8IUPAC Name: (2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-oneSMILES: CC(=O)C1=C(C(=O)N(C1C2CCCCC2)C3=C(C=C(C=C3)Cl)F)OInChIKey: VQNLJXWZGVRLBA-MRXNPFEDSA-NInChI: InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
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CCR2 antagonist 1CAS号 : 1683534-96-4 Compound CID : 73334813分子式: C28H32BrF3N2O 分子量: 549.47IUPAC Name: [(1S,3R)-3-[[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanoneSMILES: CC(C)C1(CCC(C1)NC2CCC3=C2C=CC(=C3)Br)C(=O)N4CCC5=C(C4)C=C(C=C5)C(F)(F)FInChIKey: QYDUEIJZRKTNKN-HYZYYIOASA-NInChI: InChI=1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25-,27+/m1/s1
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