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canSAR78086
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NAMES
    SMILES
    O=C(Nc1ccc(-c2nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ncc3[nH]2)cc1)c1ccc(Cl)cc1
    InChI
    InChI=1S/C30H28ClN5O2/c31-22-5-1-21(2-6-22)28(37)33-23-7-3-20(4-8-23)27-34-24-12-25(32-16-26(24)35-27)29(38)36-30-13-17-9-18(14-30)11-19(10-17)15-30/h1-8,12,16-19H,9-11,13-15H2,(H,33,37)(H,34,35)(H,36,38)
    MOLECULAR FORMULA
    C30H28ClN5O2
    CROSS REFERENCES
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    canSAR78086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.19
    AlogP 6.23
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR78086.