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canSAR1588752
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](N)C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1
    InChI
    InChI=1S/C22H31N2O4P/c1-5-17(4)20(23)21(25)24-22(16(2)3)29(26,27-18-12-8-6-9-13-18)28-19-14-10-7-11-15-19/h6-17,20,22H,5,23H2,1-4H3,(H,24,25)/t17?,20-,22?/m0/s1
    MOLECULAR FORMULA
    C22H31N2O4P
    CROSS REFERENCES
    1588752 logo

    canSAR1588752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.20
    AlogP 4.81
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    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 canSAR1588752.