canSAR62108
FEATURES
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NAMES
    SMILES
    CC1(C)Cc2c(-c3ccc(C(=O)O)cc3)cn(Cc3cccnc3)c2-c2cc3c(cc21)C(C)(C)CCC3(C)C
    InChI
    InChI=1S/C35H38N2O2/c1-33(2)13-14-34(3,4)30-17-28-25(16-29(30)33)31-26(18-35(28,5)6)27(23-9-11-24(12-10-23)32(38)39)21-37(31)20-22-8-7-15-36-19-22/h7-12,15-17,19,21H,13-14,18,20H2,1-6H3,(H,38,39)
    MOLECULAR FORMULA
    C35H38N2O2
    CROSS REFERENCES
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    canSAR62108
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight518.29
    AlogP8.15
    HBond donors1
    HBond acceptors4
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR62108.