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canSAR1721705
FEATURES
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NAMES
    SMILES
    COc1ccc(C2C3=C(CCCC3=O)OC(=[NH2+])[C-]2C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C
    InChI
    InChI=1S/C23H22N5O5/c1-12-22(28(30)31)13(2)27(26-12)11-15-9-14(7-8-18(15)32-3)20-16(10-24)23(25)33-19-6-4-5-17(29)21(19)20/h7-9,20,25H,4-6,11H2,1-3H3/q-1/p+1
    MOLECULAR FORMULA
    C23H23N5O5
    CROSS REFERENCES
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    canSAR1721705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.17
    AlogP 1.84
    HBond donors 2
    HBond acceptors 10
    Atoms 56
    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 canSAR1721705.