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canSAR1122816
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NAMES
    SMILES
    Nc1c2c(nc3c1C(c1ccc(Cl)cc1)c1c(c4ccccc4oc1=O)O3)CCCC2
    InChI
    InChI=1S/C25H19ClN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)
    MOLECULAR FORMULA
    C25H19ClN2O3
    CROSS REFERENCES
    1122816 logo

    canSAR1122816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.11
    AlogP 5.59
    HBond donors 2
    HBond acceptors 5
    Atoms 50
    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 canSAR1122816.