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canSAR1108790
FEATURES
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NAMES
    SMILES
    COc1cc(CCNC(=O)c2ccc3c(c2)nc(-c2cccc(C)c2)n3CCc2ccc(OC)c(OC)c2)cc(OC)c1
    InChI
    InChI=1S/C35H37N3O5/c1-23-7-6-8-26(17-23)34-37-30-21-27(35(39)36-15-13-25-18-28(40-2)22-29(19-25)41-3)10-11-31(30)38(34)16-14-24-9-12-32(42-4)33(20-24)43-5/h6-12,17-22H,13-16H2,1-5H3,(H,36,39)
    MOLECULAR FORMULA
    C35H37N3O5
    CROSS REFERENCES
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    canSAR1108790

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.27
    AlogP 6.26
    HBond donors 1
    HBond acceptors 8
    Atoms 80
    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 canSAR1108790.