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canSAR108735
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NAMES
    SMILES
    COc1cc(C)c(Nc2nc(Cl)cn([C@@H](CO)C3CC3)c2=O)cc1C
    InChI
    InChI=1S/C18H22ClN3O3/c1-10-7-15(25-3)11(2)6-13(10)20-17-18(24)22(8-16(19)21-17)14(9-23)12-4-5-12/h6-8,12,14,23H,4-5,9H2,1-3H3,(H,20,21)/t14-/m0/s1
    MOLECULAR FORMULA
    C18H22ClN3O3
    CROSS REFERENCES
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    canSAR108735

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.13
    AlogP 3.21
    HBond donors 2
    HBond acceptors 6
    Atoms 47
    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 canSAR108735.