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canSAR64998
FEATURES
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NAMES
    SMILES
    O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1
    InChI
    InChI=1S/C31H35FN4O2/c32-25-13-14-27-24(18-25)12-15-29(28(27)17-22-5-4-16-33-19-22)36-30(37)23-10-8-21(9-11-23)20-34-31(38)35-26-6-2-1-3-7-26/h1-7,13-14,16,18-19,21,23,28-29H,8-12,15,17,20H2,(H,36,37)(H2,34,35,38)/t21-,23-,28?,29?
    MOLECULAR FORMULA
    C31H35FN4O2
    CROSS REFERENCES
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    canSAR64998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.27
    AlogP 5.61
    HBond donors 3
    HBond acceptors 6
    Atoms 73
    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 canSAR64998.