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canSAR2092700
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NAMES
    SMILES
    C[C@@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2
    InChI
    InChI=1S/C21H19N3O4/c1-12-3-2-8-24(12)20-19(13-5-7-17-18(10-13)28-11-27-17)22-15-6-4-14(21(25)26)9-16(15)23-20/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,25,26)/t12-/m1/s1
    MOLECULAR FORMULA
    C21H19N3O4
    CROSS REFERENCES
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    canSAR2092700

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.14
    AlogP 3.71
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    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 canSAR2092700.