小分子和化合物库

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5 项目

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  1. ABBV-744
    CAS号 : 2138861-99-9        Compound CID : 132010322
    分子式: C28H30FN3O4        分子量: 491.55
    IUPAC Name: N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
    SMILES: CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C
    InChIKey: OEDSFMUSNZDJFD-UHFFFAOYSA-N
    InChI: InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
  2. CF53
      规格或纯度 :
    • ≥99%
    CAS号 : 1808160-52-2        Compound CID : 118340554
    分子式: C24H25N7O2        分子量: 443.50
    IUPAC Name: N-(5-cyclopropyl-2-methylpyrazol-3-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
    SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)C)NC5=CC(=NN5C)C6CC6)OC
    InChIKey: JIYPVUCBRQNICX-UHFFFAOYSA-N
    InChI: InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
  3. TLR7 agonist 2
      规格或纯度 :
    • ≥99%
    CAS号 : 1642857-69-9        Compound CID : 86346192
    分子式: C17H16N6O2        分子量: 336.35
    IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
    SMILES: CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)N
    InChIKey: FVKOYFLAKSGBBV-UHFFFAOYSA-N
    InChI: InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
  4. PF-4878691
      规格或纯度 :
    • ≥99%
    CAS号 : 532959-63-0        Compound CID : 10309114
    分子式: C17H23N5O2S        分子量: 361.5
    IUPAC Name: N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
    SMILES: CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N
    InChIKey: YZOQZEXYFLXNKA-UHFFFAOYSA-N
    InChI: InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
  5. TLR7/8/9-IN-1
      规格或纯度 :
    • ≥99%
    CAS号 : 2180127-82-4        Compound CID : 134230357
    分子式: C27H37N3O2        分子量: 435.60
    IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
    SMILES: CC(C)C1=C(NC2=C1C=C(C=C2)C3CCN(CC3)CCNC)C4=CC(=C(C=C4)OC)OC
    InChIKey: UKYUETHIPBXYBQ-UHFFFAOYSA-N
    InChI: InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
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