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canSAR1964013
FEATURES
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NAMES
    SMILES
    CC1(CCc2ccccc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O
    InChI
    InChI=1S/C21H21N3O6/c1-21(8-7-14-5-3-2-4-6-14)19(25)23(20(26)22-21)11-15-9-17(24(27)28)10-16-12-29-13-30-18(15)16/h2-6,9-10H,7-8,11-13H2,1H3,(H,22,26)
    MOLECULAR FORMULA
    C21H21N3O6
    CROSS REFERENCES
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    canSAR1964013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.14
    AlogP 2.90
    HBond donors 1
    HBond acceptors 9
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1964013.