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canSAR644180
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1ccc(/N=C/C=C(\Nc2ccc(C(=O)OCC)cc2)C23CC4CC(CC(C4)C2)C3)cc1.Cl
    InChI
    InChI=1S/C31H36N2O4.ClH/c1-3-36-29(34)24-5-9-26(10-6-24)32-14-13-28(31-18-21-15-22(19-31)17-23(16-21)20-31)33-27-11-7-25(8-12-27)30(35)37-4-2;/h5-14,21-23,33H,3-4,15-20H2,1-2H3;1H/b28-13-,32-14+;
    MOLECULAR FORMULA
    C31H37ClN2O4
    CROSS REFERENCES
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    canSAR644180

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.24
    AlogP 7.38
    HBond donors 1
    HBond acceptors 6
    Atoms 75
    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 canSAR644180.