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canSAR1429176
FEATURES
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NAMES
    SMILES
    CN1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
    InChI
    InChI=1S/C27H31N5O5/c1-31-22-11-8-16(28-23(34)6-4-2-3-5-7-24(35)30-37)14-20(22)27(36)32-13-12-18-19-15-17(33)9-10-21(19)29-25(18)26(31)32/h8-11,14-15,26,29,33,37H,2-7,12-13H2,1H3,(H,28,34)(H,30,35)
    MOLECULAR FORMULA
    C27H31N5O5
    CROSS REFERENCES
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    canSAR1429176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.23
    AlogP 3.80
    HBond donors 5
    HBond acceptors 10
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1429176.