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canSAR1125815
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NAMES
    SMILES
    CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(C)cc2C)N=C14
    InChI
    InChI=1S/C31H44N2O2/c1-7-35-27(34)30(6)14-8-13-29(5)24(30)12-16-31-19-28(4,15-11-25(29)31)26-22(31)18-33(32-26)23-10-9-20(2)17-21(23)3/h9-10,17,22,24-25H,7-8,11-16,18-19H2,1-6H3/t22-,24+,25+,28+,29-,30-,31-/m1/s1
    MOLECULAR FORMULA
    C31H44N2O2
    CROSS REFERENCES
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    canSAR1125815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.34
    AlogP 7.07
    HBond donors 0
    HBond acceptors 4
    Atoms 79
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125815.