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canSAR1093317
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NAMES
    SMILES
    C[C@H](O)CNc1cc(-n2c(-c3cccc(O)c3)nc3ccccc32)ccn1
    InChI
    InChI=1S/C21H20N4O2/c1-14(26)13-23-20-12-16(9-10-22-20)25-19-8-3-2-7-18(19)24-21(25)15-5-4-6-17(27)11-15/h2-12,14,26-27H,13H2,1H3,(H,22,23)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H20N4O2
    CROSS REFERENCES
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    canSAR1093317

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 360.16
    AlogP 3.59
    HBond donors 3
    HBond acceptors 6
    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 canSAR1093317.