654787 logo
canSAR654787
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCCNc1nc(N)c2c(n1)C(=O)C(c1ccccc1)=[N+]2[O-]
    InChI
    InChI=1S/C17H20N6O2/c1-22(2)10-6-9-19-17-20-12-14(16(18)21-17)23(25)13(15(12)24)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H3,18,19,20,21)
    MOLECULAR FORMULA
    C17H20N6O2
    CROSS REFERENCES
    654787 logo

    canSAR654787

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 340.16
    AlogP 1.25
    HBond donors 3
    HBond acceptors 8
    Atoms 45
    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 canSAR654787.