1494138 logo
canSAR1494138
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Br.O=[N+]([O-])c1c(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(O)c(O)c2[N+](=O)[O-])ccc(O)c1O
    InChI
    InChI=1S/C30H48N6O8S2.BrH/c37-25-11-9-23(27(29(25)39)35(41)42)21-33-15-7-3-1-5-13-31-17-19-45-46-20-18-32-14-6-2-4-8-16-34-22-24-10-12-26(38)30(40)28(24)36(43)44;/h9-12,31-34,37-40H,1-8,13-22H2;1H
    MOLECULAR FORMULA
    C30H49BrN6O8S2
    CROSS REFERENCES
    1494138 logo

    canSAR1494138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 764.22
    AlogP 5.46
    HBond donors 8
    HBond acceptors 14
    Atoms 96
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1494138.