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canSAR1500080
FEATURES
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NAMES
    SMILES
    COc1cc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)cc(OC)c1OC
    InChI
    InChI=1S/C25H23N3O5/c1-15-10-11-18(28(29)30)14-19(15)23-22(16-8-6-5-7-9-16)26-25(27-23)17-12-20(31-2)24(33-4)21(13-17)32-3/h5-14H,1-4H3,(H,26,27)
    MOLECULAR FORMULA
    C25H23N3O5
    CROSS REFERENCES
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    canSAR1500080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.16
    AlogP 5.65
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1500080.