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canSAR503096
FEATURES
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NAMES
    SMILES
    N/C(=N\O)c1cccc(CN2C(=O)N(CC3CC3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1
    InChI
    InChI=1S/C31H36N4O3/c32-30(33-38)26-13-7-12-25(18-26)21-35-28(19-23-10-5-2-6-11-23)29(36)27(17-16-22-8-3-1-4-9-22)34(31(35)37)20-24-14-15-24/h1-13,18,24,27-29,36,38H,14-17,19-21H2,(H2,32,33)/t27-,28-,29-/m1/s1
    MOLECULAR FORMULA
    C31H36N4O3
    CROSS REFERENCES
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    canSAR503096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.28
    AlogP 4.40
    HBond donors 4
    HBond acceptors 7
    Atoms 74
    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 canSAR503096.