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canSAR1132869
FEATURES
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NAMES
    SMILES
    Nc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O)cc1
    InChI
    InChI=1S/C37H39N5O6/c38-28-14-10-25(11-15-28)20-32(37(47)48)41-34(44)31(19-23-6-2-1-3-7-23)40-35(45)33-21-26-8-4-5-9-27(26)22-42(33)36(46)30(39)18-24-12-16-29(43)17-13-24/h1-17,30-33,43H,18-22,38-39H2,(H,40,45)(H,41,44)(H,47,48)/t30-,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C37H39N5O6
    CROSS REFERENCES
    1132869 logo

    canSAR1132869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 649.29
    AlogP 2.34
    HBond donors 8
    HBond acceptors 11
    Atoms 87
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132869.