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canSAR646140
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NAMES
    SMILES
    CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc(CN(CC)CC)c1O
    InChI
    InChI=1S/C31H37N5O/c1-5-35(6-2)19-21-17-23(18-22(31(21)37)20-36(7-3)8-4)32-28-24-13-9-11-15-26(24)33-29-25-14-10-12-16-27(25)34-30(28)29/h9-18,34,37H,5-8,19-20H2,1-4H3,(H,32,33)
    MOLECULAR FORMULA
    C31H37N5O
    CROSS REFERENCES
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    canSAR646140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.30
    AlogP 7.00
    HBond donors 3
    HBond acceptors 6
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR646140.