canSAR1416925
FEATURES
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NAMES
    SMILES
    Cc1cc(C)c(-c2ncc([C@@H]3CCCO3)[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
    InChI
    InChI=1S/C28H30N4O2/c1-18-14-19(2)24(15-23(18)27-30-17-25(31-27)26-4-3-13-34-26)28(33)32-11-9-22(10-12-32)21-7-5-20(16-29)6-8-21/h5-8,14-15,17,22,26H,3-4,9-13H2,1-2H3,(H,30,31)/t26-/m0/s1
    MOLECULAR FORMULA
    C28H30N4O2
    CROSS REFERENCES
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    canSAR1416925
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight454.24
    AlogP5.44
    HBond donors1
    HBond acceptors6
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1416925.