小分子和化合物库

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显示第112个,产品总数21

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  1. 吲哚并[21-b]喹唑啉-612-二酮
    CAS号 : 13220-57-0        Compound CID : 73549
    分子式: C15H8N2O2        分子量: 248.24
    IUPAC Name: indolo[2,1-b]quinazoline-6,12-dione
    SMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2
    InChIKey: VQQVWGVXDIPORV-UHFFFAOYSA-N
    InChI: InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
  2. 1-甲基-L-色氨酸
    CAS号 : 21339-55-9       
    分子式: C12H14N2O2        分子量: 218.25
    IUPAC Name: (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid
    SMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
    InChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-N
    InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
  3. Necrostatin-1,特异性坏死病抑制剂
    CAS号 : 4311-88-0        Compound CID : 2828334
    分子式: C13H13N3OS        分子量: 259.33
    IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one
    SMILES: CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32
    InChIKey: TXUWMXQFNYDOEZ-UHFFFAOYSA-N
    InChI: InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
  4. 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
  5. 9H-吡啶[3,4-b]吲哚
    CAS号 : 244-63-3        Compound CID : 64961
    分子式: C11H8N2        分子量: 168.2
    IUPAC Name: 9H-pyrido[3,4-b]indole
    SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3
    InChIKey: AIFRHYZBTHREPW-UHFFFAOYSA-N
    InChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
  6. 依布硒
    CAS号 : 60940-34-3        Compound CID : 3194
    分子式: C13H9NOSe        分子量: 274.18
    IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one
    SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
    InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N
    InChI: InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
  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. 吲哚并[2,1-b]喹唑啉-6,12-二酮
    CAS号 : 13220-57-0        Compound CID : 73549
    分子式: C15H8N2O2        分子量: 248.24
    IUPAC Name: indolo[2,1-b]quinazoline-6,12-dione
    SMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2
    InChIKey: VQQVWGVXDIPORV-UHFFFAOYSA-N
    InChI: InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
  9. 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)
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