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8 项目

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  1. 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: 282.38
    IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
    SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
    InChIKey: YTRRAUACYORZLX-UHFFFAOYSA-N
    InChI: 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
  2. 达马莫德
    CAS号 : 285983-48-4        Compound CID : 156422
    分子式: C31H37N5O3        分子量: 527.67
    IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
    SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
    InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
    InChI: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
  3. LY2801653,抑制Met (c-Met)酪氨酸激酶
    CAS号 : 1206799-15-6        Compound CID : 44603533
    分子式: C30H22F2N6O3        分子量: 552.53
    IUPAC Name: N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
    SMILES: CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F
    InChIKey: QHADVLVFMKEIIP-UHFFFAOYSA-N
    InChI: InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
  4. 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: 229.21
    IUPAC Name: 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
    SMILES: C1=CC2=C(C=C1F)NC=C2C=CC3=NNN=N3
    InChIKey: JDBSZVDIUIRSDG-DAFODLJHSA-N
    InChI: 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+
  5. Epacadostat (INCB024360)
    CAS号 : 1204669-58-8        Compound CID : 135564890
    分子式: C11H13BrFN7O4S        分子量: 438.23
    IUPAC Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
    SMILES: C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F
    InChIKey: FBKMWOJEPMPVTQ-UHFFFAOYSA-N
    InChI: 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)
  6. LY2801653
    CAS号 : 1206799-15-6        Compound CID : 44603533
    分子式: C30H22F2N6O3        分子量: 552.53
    IUPAC Name: N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
    SMILES: CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F
    InChIKey: QHADVLVFMKEIIP-UHFFFAOYSA-N
    InChI: InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
  7. LM 10
    CAS号 : 1316695-35-8        Compound CID : 135743630
    分子式: C11H8FN5        分子量: 229.21
    IUPAC Name: 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
    SMILES: C1=CC2=C(C=C1F)NC=C2C=CC3=NNN=N3
    InChIKey: JDBSZVDIUIRSDG-DAFODLJHSA-N
    InChI: 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+
  8. NLG919
    CAS号 : 1402836-58-1        Compound CID : 66558287
    分子式: C18H22N2O        分子量: 282.38
    IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
    SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
    InChIKey: YTRRAUACYORZLX-UHFFFAOYSA-N
    InChI: 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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