canSAR2063422
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(-c2cn(C(CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1
    InChI
    InChI=1S/C31H34N4S/c1-31(2,3)24-14-11-22(12-15-24)27-20-35(33-32-27)28(21-34-17-7-4-8-18-34)23-13-16-30-26(19-23)25-9-5-6-10-29(25)36-30/h5-6,9-16,19-20,28H,4,7-8,17-18,21H2,1-3H3
    MOLECULAR FORMULA
    C31H34N4S
    CROSS REFERENCES
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    canSAR2063422
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight494.25
    AlogP7.69
    HBond donors0
    HBond acceptors4
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063422.