834743 logo
canSAR834743
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC1(Cc2ccccc2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1
    InChI
    InChI=1S/C38H45N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h4-19,26,31,39H,20-25,27-28H2,1-3H3,(H,40,44)
    MOLECULAR FORMULA
    C38H45N5O6S2
    CROSS REFERENCES
    834743 logo

    canSAR834743

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 731.28
    AlogP 6.47
    HBond donors 2
    HBond acceptors 11
    Atoms 96
    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 canSAR834743.