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canSAR34613
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](C1CCC(CN=C(N)N)CC1)P(=O)(Oc1ccccc1)Oc1ccccc1
    InChI
    InChI=1S/C35H45N6O8P/c1-24(39-32(44)30(22-42)40-35(45)47-23-26-11-5-2-6-12-26)31(43)41-33(27-19-17-25(18-20-27)21-38-34(36)37)50(46,48-28-13-7-3-8-14-28)49-29-15-9-4-10-16-29/h2-16,24-25,27,30,33,42H,17-23H2,1H3,(H,39,44)(H,40,45)(H,41,43)(H4,36,37,38)/t24-,25-,27?,30+,33-/m0/s1
    MOLECULAR FORMULA
    C35H45N6O8P
    CROSS REFERENCES
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    canSAR34613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 708.30
    AlogP 3.65
    HBond donors 8
    HBond acceptors 14
    Atoms 95
    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 canSAR34613.