canSAR946890
FEATURES
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NAMES
    SMILES
    C=CCc1c(C)nc(-c2ccc(OC)cc2)nc1Nc1ccc(C(=O)O)cc1
    InChI
    InChI=1S/C22H21N3O3/c1-4-5-19-14(2)23-20(15-8-12-18(28-3)13-9-15)25-21(19)24-17-10-6-16(7-11-17)22(26)27/h4,6-13H,1,5H2,2-3H3,(H,26,27)(H,23,24,25)
    MOLECULAR FORMULA
    C22H21N3O3
    CROSS REFERENCES
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    canSAR946890
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight375.16
    AlogP4.63
    HBond donors2
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR946890.