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canSAR991998
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NAMES
    SMILES
    Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1
    InChI
    InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
    MOLECULAR FORMULA
    C23H23ClN8O
    CROSS REFERENCES
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    canSAR991998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.17
    AlogP 3.40
    HBond donors 3
    HBond acceptors 9
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR991998.