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canSAR1018696
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NAMES
    SMILES
    O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCC1
    InChI
    InChI=1S/C22H31N5O2/c28-20(17-7-2-3-8-17)24-19-11-9-18(10-12-19)21-25-26-22(29-21)23-13-6-16-27-14-4-1-5-15-27/h9-12,17H,1-8,13-16H2,(H,23,26)(H,24,28)
    MOLECULAR FORMULA
    C22H31N5O2
    CROSS REFERENCES
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    canSAR1018696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.25
    AlogP 4.15
    HBond donors 2
    HBond acceptors 7
    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 canSAR1018696.