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canSAR653176
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NAMES
    SMILES
    Cc1ccccc1Nc1nc(NCCNc2cnc3cc(Cl)ccc3c2)nc(Nc2ccccc2C)n1
    InChI
    InChI=1S/C28H27ClN8/c1-18-7-3-5-9-23(18)33-27-35-26(36-28(37-27)34-24-10-6-4-8-19(24)2)31-14-13-30-22-15-20-11-12-21(29)16-25(20)32-17-22/h3-12,15-17,30H,13-14H2,1-2H3,(H3,31,33,34,35,36,37)
    MOLECULAR FORMULA
    C28H27ClN8
    CROSS REFERENCES
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    canSAR653176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.20
    AlogP 6.70
    HBond donors 4
    HBond acceptors 8
    Atoms 64
    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 canSAR653176.