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canSAR113042
FEATURES
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NAMES
    SMILES
    Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(C(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
    InChI
    InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
    MOLECULAR FORMULA
    C30H34N6O5
    CROSS REFERENCES
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    canSAR113042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.26
    AlogP 1.98
    HBond donors 3
    HBond acceptors 11
    Atoms 75
    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 canSAR113042.