canSAR2061023
FEATURES
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NAMES
    SMILES
    Cc1cc(CCC#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1CNC1CC1
    InChI
    InChI=1S/C28H29N5O/c1-18-12-21(4-3-11-29)13-19(2)28(18)34-27-15-26(33-24-7-5-20(16-30)6-8-24)25(31)14-22(27)17-32-23-9-10-23/h5-8,12-15,23,32-33H,3-4,9-10,17,31H2,1-2H3
    MOLECULAR FORMULA
    C28H29N5O
    CROSS REFERENCES
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    canSAR2061023
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.24
    AlogP6.00
    HBond donors4
    HBond acceptors6
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061023.