小分子和化合物库

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  1. CU-CPT-8m
    CAS号 : 125079-83-6        Compound CID : 15042086
    分子式: C14H12N4O        分子量: 252.27
    IUPAC Name: 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    SMILES: CC1=CC(=CC=C1)C2=CC=NC3=C(C=NN23)C(=O)N
    InChIKey: HNKGGVGQAVODNJ-UHFFFAOYSA-N
    InChI: InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
  2. Motolimod (VTX-2337)
    CAS号 : 926927-61-9        Compound CID : 16049404
    分子式: C28H34N4O2        分子量: 458.6
    IUPAC Name: 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
    SMILES: CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)N
    InChIKey: QSPOQCXMGPDIHI-UHFFFAOYSA-N
    InChI: InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
  3. 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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