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canSAR1587996
FEATURES
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NAMES
    SMILES
    CC(C)NC(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
    InChI
    InChI=1S/C25H32ClN3O2/c1-17(2)29-24(30)28-14-15-31-21-9-4-18-10-13-27-23(22(18)16-21)25(11-3-12-25)19-5-7-20(26)8-6-19/h4-9,16-17,23,27H,3,10-15H2,1-2H3,(H2,28,29,30)
    MOLECULAR FORMULA
    C25H32ClN3O2
    CROSS REFERENCES
    1587996 logo

    canSAR1587996

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.22
    AlogP 4.74
    HBond donors 3
    HBond acceptors 5
    Atoms 63
    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 canSAR1587996.