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canSAR1862355
FEATURES
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NAMES
    SMILES
    O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C32H35N3O.C4H4O4/c36-31(33-32-29-15-6-4-13-27(29)18-19-28-14-5-7-16-30(28)32)17-9-21-35-24-22-34(23-25-35)20-8-12-26-10-2-1-3-11-26;5-3(6)1-2-4(7)8/h1-8,10-16,18-19,32H,9,17,20-25H2,(H,33,36);1-2H,(H,5,6)(H,7,8)/b12-8+;2-1-
    MOLECULAR FORMULA
    C36H39N3O5
    CROSS REFERENCES
    1862355 logo

    canSAR1862355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 593.29
    AlogP 5.20
    HBond donors 3
    HBond acceptors 8
    Atoms 83
    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 canSAR1862355.