canSAR590782
FEATURES
Loading...
NAMES
    SMILES
    Cl.N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
    InChI
    InChI=1S/C17H18N6O6.ClH/c18-16(19)10-2-4-14(12(8-10)22(24)25)28-6-1-7-29-15-5-3-11(17(20)21)9-13(15)23(26)27;/h2-5,8-9H,1,6-7H2,(H3,18,19)(H3,20,21);1H
    MOLECULAR FORMULA
    C17H19ClN6O6
    CROSS REFERENCES
    Loading...
    canSAR590782
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight438.11
    AlogP2.34
    HBond donors6
    HBond acceptors12
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR590782.