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canSAR1650113
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)NC3CCCCC3)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
    InChI
    InChI=1S/C37H48N4O5/c1-26-22-41(27(2)25-42)36(43)21-29-20-31(39-37(44)38-30-10-6-4-7-11-30)16-19-34(29)46-35(26)24-40(3)23-28-14-17-33(18-15-28)45-32-12-8-5-9-13-32/h5,8-9,12-20,26-27,30,35,42H,4,6-7,10-11,21-25H2,1-3H3,(H2,38,39,44)/t26-,27-,35+/m1/s1
    MOLECULAR FORMULA
    C37H48N4O5
    CROSS REFERENCES
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    canSAR1650113

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.36
    AlogP 6.21
    HBond donors 3
    HBond acceptors 9
    Atoms 94
    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 canSAR1650113.