canSAR2177553
FEATURES
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NAMES
    SMILES
    N#Cc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2
    InChI
    InChI=1S/C25H23ClN4O4/c26-19-12-16-3-6-22(19)34-10-2-1-9-33-21-5-4-17(14-27)11-18(21)23(31)29-20(13-16)24(32)30-25(15-28)7-8-25/h3-6,11-12,20H,1-2,7-10,13H2,(H,29,31)(H,30,32)/t20-/m0/s1
    MOLECULAR FORMULA
    C25H23ClN4O4
    CROSS REFERENCES
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    canSAR2177553
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight478.14
    AlogP3.28
    HBond donors2
    HBond acceptors8
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2177553.