canSAR2100332
FEATURES
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NAMES
    SMILES
    COC[C@@H]1CN[C@@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(Cl)cc3)cc21
    InChI
    InChI=1S/C25H33ClN4O2/c1-17-13-29(21(11-27-17)15-32-4)14-24(31)30-16-25(2,3)22-12-28-20(10-23(22)30)9-18-5-7-19(26)8-6-18/h5-8,10,12,17,21,27H,9,11,13-16H2,1-4H3/t17-,21-/m0/s1
    MOLECULAR FORMULA
    C25H33ClN4O2
    CROSS REFERENCES
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    canSAR2100332
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight456.23
    AlogP3.26
    HBond donors1
    HBond acceptors6
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100332.