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canSAR2048854
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c2cc(O)ccc2n1
    InChI
    InChI=1S/C22H23N5O4/c1-14-11-18(17-13-16(28)4-5-19(17)23-14)22(29)24-20-12-15(27(30)31)3-6-21(20)26-9-7-25(2)8-10-26/h3-6,11-13,28H,7-10H2,1-2H3,(H,24,29)
    MOLECULAR FORMULA
    C22H23N5O4
    CROSS REFERENCES
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    canSAR2048854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.18
    AlogP 3.16
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048854.