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canSAR92475
FEATURES
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NAMES
    SMILES
    CC1(C)Oc2ccc(C#N)cc2[C@@H](n2cc([N+](=O)[O-])ccc2=O)[C@@H]1O
    InChI
    InChI=1S/C17H15N3O5/c1-17(2)16(22)15(12-7-10(8-18)3-5-13(12)25-17)19-9-11(20(23)24)4-6-14(19)21/h3-7,9,15-16,22H,1-2H3/t15-,16+/m1/s1
    MOLECULAR FORMULA
    C17H15N3O5
    CROSS REFERENCES
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    canSAR92475

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.10
    AlogP 1.75
    HBond donors 1
    HBond acceptors 8
    Atoms 40
    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 canSAR92475.