canSAR1417729
FEATURES
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NAMES
    SMILES
    O=C(NN=C1CCCC1)c1[nH]nc2c1CCCC2
    InChI
    InChI=1S/C13H18N4O/c18-13(17-14-9-5-1-2-6-9)12-10-7-3-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18)
    MOLECULAR FORMULA
    C13H18N4O
    CROSS REFERENCES
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    canSAR1417729
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight246.15
    AlogP1.95
    HBond donors2
    HBond acceptors5
    Atoms36
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417729.