canSAR2177067
FEATURES
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NAMES
    SMILES
    C=CC(=O)N1CC[C@H](Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1
    InChI
    InChI=1S/C24H26N4O3/c1-4-23(29)28-11-10-18(14-28)31-22-12-19-20(13-21(22)30-3)25-15-26-24(19)27-16(2)17-8-6-5-7-9-17/h4-9,12-13,15-16,18H,1,10-11,14H2,2-3H3,(H,25,26,27)/t16-,18+/m1/s1
    MOLECULAR FORMULA
    C24H26N4O3
    CROSS REFERENCES
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    canSAR2177067
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.20
    AlogP3.98
    HBond donors1
    HBond acceptors7
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2177067.