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canSAR1720929
FEATURES
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NAMES
    SMILES
    Cl.O=[N+]([O-])c1ccccc1CNCC1CCCC(CNCc2ccccc2[N+](=O)[O-])C1
    InChI
    InChI=1S/C22H28N4O4.ClH/c27-25(28)21-10-3-1-8-19(21)15-23-13-17-6-5-7-18(12-17)14-24-16-20-9-2-4-11-22(20)26(29)30;/h1-4,8-11,17-18,23-24H,5-7,12-16H2;1H
    MOLECULAR FORMULA
    C22H29ClN4O4
    CROSS REFERENCES
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    canSAR1720929

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.19
    AlogP 4.61
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1720929.