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canSAR1017828
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NAMES
    SMILES
    O=C(CN1CCCC1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1
    InChI
    InChI=1S/C21H23N5O2/c27-19(13-25-8-3-4-9-25)26-10-7-17-18(12-26)23-20(22-17)15-11-14-5-1-2-6-16(14)24-21(15)28/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,22,23)(H,24,28)
    MOLECULAR FORMULA
    C21H23N5O2
    CROSS REFERENCES
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    canSAR1017828

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.19
    AlogP 1.90
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    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 canSAR1017828.