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canSAR1443971
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NAMES
    SMILES
    O=C(Nc1cccc(-c2c[nH]cn2)c1)c1ccc2nc3n(c2c1)CCCNC3=O
    InChI
    InChI=1S/C21H18N6O2/c28-20(25-15-4-1-3-13(9-15)17-11-22-12-24-17)14-5-6-16-18(10-14)27-8-2-7-23-21(29)19(27)26-16/h1,3-6,9-12H,2,7-8H2,(H,22,24)(H,23,29)(H,25,28)
    MOLECULAR FORMULA
    C21H18N6O2
    CROSS REFERENCES
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    canSAR1443971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.15
    AlogP 2.81
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1443971.