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canSAR643750
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NAMES
    SMILES
    CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)cc(CN(CC)CC)c1O.Cl
    InChI
    InChI=1S/C32H39N5O.ClH/c1-6-36(7-2)20-22-18-24(19-23(32(22)38)21-37(8-3)9-4)33-29-25-14-10-12-16-27(25)34-30-26-15-11-13-17-28(26)35(5)31(29)30;/h10-19,38H,6-9,20-21H2,1-5H3,(H,33,34);1H
    MOLECULAR FORMULA
    C32H40ClN5O
    CROSS REFERENCES
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    canSAR643750

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.29
    AlogP 7.43
    HBond donors 2
    HBond acceptors 6
    Atoms 79
    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 canSAR643750.