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canSAR1085435
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C/C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1OC
    InChI
    InChI=1S/C24H26ClN3O3/c1-30-22-9-5-17(15-23(22)31-2)6-10-24(29)28-13-4-3-12-26-20-11-14-27-21-16-18(25)7-8-19(20)21/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,26,27)(H,28,29)/b10-6+
    MOLECULAR FORMULA
    C24H26ClN3O3
    CROSS REFERENCES
    1085435 logo

    canSAR1085435

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.17
    AlogP 4.93
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR1085435.