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canSAR1112801
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CCNCC2)cc1
    InChI
    InChI=1S/C26H31N5O2/c1-26(2,3)21-7-4-5-9-23(21)33-24-22(8-6-14-28-24)30-25(32)29-19-10-12-20(13-11-19)31-17-15-27-16-18-31/h4-14,27H,15-18H2,1-3H3,(H2,29,30,32)
    MOLECULAR FORMULA
    C26H31N5O2
    CROSS REFERENCES
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    canSAR1112801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.25
    AlogP 5.22
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR1112801.