canSAR1604495
FEATURES
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NAMES
    SMILES
    CC(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)C(C)(C)C
    InChI
    InChI=1S/C25H30N2O2S/c1-17(25(2,3)4)26-15-21-16-27-24(30-21)28-20-11-13-23-19(14-20)10-12-22(29-23)18-8-6-5-7-9-18/h5-9,11,13-14,16-17,22,26H,10,12,15H2,1-4H3
    MOLECULAR FORMULA
    C25H30N2O2S
    CROSS REFERENCES
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    canSAR1604495
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.20
    AlogP6.53
    HBond donors1
    HBond acceptors4
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604495.