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canSAR463519
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NAMES
    SMILES
    CCCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C
    InChI
    InChI=1S/C35H40N4O2/c1-6-17-38-24(3)21-37(22-25(38)4)33-20-32-26(19-34(33)41-5)16-18-39(32)35(40)30-15-14-29(27-11-7-8-12-28(27)30)31-13-9-10-23(2)36-31/h7-15,19-20,24-25H,6,16-18,21-22H2,1-5H3/t24-,25+
    MOLECULAR FORMULA
    C35H40N4O2
    CROSS REFERENCES
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    canSAR463519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.32
    AlogP 6.73
    HBond donors 0
    HBond acceptors 6
    Atoms 81
    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 canSAR463519.