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canSAR1266748
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NAMES
    SMILES
    O=C(/C=C/c1cccc(Cl)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O
    InChI
    InChI=1S/C33H36ClN5O4/c34-23-6-1-4-21(14-23)8-11-30(40)28-10-9-26(17-31(28)41)43-20-24-19-39(36-35-24)25-15-29-27-7-3-13-37-12-2-5-22(33(27)37)18-38(29)32(42)16-25/h1,4,6,8-11,14,17,19,22,25,27,29,33,41H,2-3,5,7,12-13,15-16,18,20H2/b11-8+/t22-,25+,27+,29+,33-/m0/s1
    MOLECULAR FORMULA
    C33H36ClN5O4
    CROSS REFERENCES
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    canSAR1266748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 601.25
    AlogP 5.15
    HBond donors 1
    HBond acceptors 9
    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 canSAR1266748.