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canSAR1149581
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NAMES
    SMILES
    O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C23H23ClN6O3/c24-18-3-6-20-21(15-18)25-9-7-22(20)29-13-11-28(12-14-29)10-8-23(31)27-26-16-17-1-4-19(5-2-17)30(32)33/h1-7,9,15-16H,8,10-14H2,(H,27,31)/b26-16+
    MOLECULAR FORMULA
    C23H23ClN6O3
    CROSS REFERENCES
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    canSAR1149581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.15
    AlogP 3.46
    HBond donors 1
    HBond acceptors 9
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149581.