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canSAR1127013
FEATURES
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NAMES
    SMILES
    COc1cc(CCNC(=O)c2ccc3c(c2)nc(-c2cc(OC)c(OC)c(OC)c2)n3CCc2ccc(OC)c(OC)c2)cc(OC)c1
    InChI
    InChI=1S/C37H41N3O8/c1-42-27-16-24(17-28(22-27)43-2)12-14-38-37(41)25-9-10-30-29(19-25)39-36(26-20-33(46-5)35(48-7)34(21-26)47-6)40(30)15-13-23-8-11-31(44-3)32(18-23)45-4/h8-11,16-22H,12-15H2,1-7H3,(H,38,41)
    MOLECULAR FORMULA
    C37H41N3O8
    CROSS REFERENCES
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    canSAR1127013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 655.29
    AlogP 5.98
    HBond donors 1
    HBond acceptors 11
    Atoms 89
    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 canSAR1127013.