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canSAR1131392
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NAMES
    SMILES
    COc1cc(OC)c(-c2nnc(CCCc3c[nH]c4ccccc34)o2)c(OC)c1
    InChI
    InChI=1S/C22H23N3O4/c1-26-15-11-18(27-2)21(19(12-15)28-3)22-25-24-20(29-22)10-6-7-14-13-23-17-9-5-4-8-16(14)17/h4-5,8-9,11-13,23H,6-7,10H2,1-3H3
    MOLECULAR FORMULA
    C22H23N3O4
    CROSS REFERENCES
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    canSAR1131392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.17
    AlogP 4.42
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR1131392.