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canSAR1066544
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@@H]2CCCN2)cc1
    InChI
    InChI=1S/C25H31N4O6P/c1-17(30)27-19-7-11-21(12-8-19)34-36(33,35-22-13-9-20(10-14-22)28-18(2)31)24-6-4-16-29(24)25(32)23-5-3-15-26-23/h7-14,23-24,26H,3-6,15-16H2,1-2H3,(H,27,30)(H,28,31)/t23-,24?/m0/s1
    MOLECULAR FORMULA
    C25H31N4O6P
    CROSS REFERENCES
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    canSAR1066544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.20
    AlogP 3.95
    HBond donors 3
    HBond acceptors 10
    Atoms 67
    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 canSAR1066544.