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canSAR1714844
FEATURES
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NAMES
    SMILES
    COc1cc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O
    InChI
    InChI=1S/C27H27N3O6/c1-16-12-19-13-18(5-7-21(19)36-16)25(32)23-24(17-4-6-20(31)22(14-17)35-2)30(27(34)26(23)33)10-3-9-29-11-8-28-15-29/h4-8,11,13-16,23-24,31H,3,9-10,12H2,1-2H3
    MOLECULAR FORMULA
    C27H27N3O6
    CROSS REFERENCES
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    canSAR1714844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.19
    AlogP 2.96
    HBond donors 1
    HBond acceptors 9
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1714844.