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11 项目

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  1. 褪黑素
    CAS号 : 73-31-4        Compound CID : 896
    分子式: C13H16N2O2        分子量: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  2. 马赛替尼 (AB1010)
    CAS号 : 790299-79-5        Compound CID : 10074640
    分子式: C28H30N6OS        分子量: 498.65
    IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5
    InChIKey: WJEOLQLKVOPQFV-UHFFFAOYSA-N
    InChI: InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
  3. 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
  4. 白藜芦醇
    CAS号 : 501-36-0        Compound CID : 445154
    分子式: C14H12O3        分子量: 228.24
    IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
    InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
    InChI: 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+
  5. 克莱拉尼
    CAS号 : 670220-88-9        Compound CID : 10366136
    分子式: C26H29N5O2        分子量: 443.54
    IUPAC Name: 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
    SMILES: CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4
    InChIKey: DYNHJHQFHQTFTP-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
  6. 伊马替尼
    CAS号 : 152459-95-5        Compound CID : 5291
    分子式: C29H31N7O        分子量: 493.6
    IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N
    InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
  7. PF-06840003,IDO-1 抑制剂
    CAS号 : 198474-05-4        Compound CID : 23063810
    分子式: C12H9FN2O2        分子量: 232.21
    IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
    SMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F
    InChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-N
    InChI: 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)
  8. 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)
  9. Linrodostat (BMS-986205)
    CAS号 : 1923833-60-6        Compound CID : 121328278
    分子式: C24H24ClFN2O        分子量: 410.91
    IUPAC Name: (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
    SMILES: CC(C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
    InChIKey: KRTIYQIPSAGSBP-KLAILNCOSA-N
    InChI: 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
  10. 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
  11. PF-06840003
    CAS号 : 198474-05-4        Compound CID : 23063810
    分子式: C12H9FN2O2        分子量: 232.21
    IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
    SMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F
    InChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-N
    InChI: 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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