1145674 logo
canSAR1145674
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-]
    InChI
    InChI=1S/C19H13N5O4S/c25-17-12-6-2-1-5-11(12)14(9-16(17)29-19-20-10-21-23-19)22-18(26)13-7-3-4-8-15(13)24(27)28/h1-10,25H,(H,22,26)(H,20,21,23)
    MOLECULAR FORMULA
    C19H13N5O4S
    CROSS REFERENCES
    1145674 logo

    canSAR1145674

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.07
    AlogP 3.98
    HBond donors 3
    HBond acceptors 9
    Atoms 42
    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 canSAR1145674.