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canSAR1013096
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NAMES
    SMILES
    COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4)nc(N)nc3[nH]2)c1
    InChI
    InChI=1S/C21H20ClN5O2/c1-28-16-7-8-18(29-2)12(10-16)9-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-13(22)4-6-14/h3-8,10-11H,9H2,1-2H3,(H4,23,24,25,26,27)
    MOLECULAR FORMULA
    C21H20ClN5O2
    CROSS REFERENCES
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    canSAR1013096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.13
    AlogP 4.55
    HBond donors 4
    HBond acceptors 7
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1013096.