731795 logo
canSAR731795
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1NC(=O)/C(=C/C=C/c2ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)c(Cl)c2)S1
    InChI
    InChI=1S/C28H26ClNO3S/c29-23-11-16(2-1-3-25-26(32)30-27(33)34-25)4-6-21(23)20-5-7-24(31)22(12-20)28-13-17-8-18(14-28)10-19(9-17)15-28/h1-7,11-12,17-19,31H,8-10,13-15H2,(H,30,32,33)/b2-1+,25-3-
    MOLECULAR FORMULA
    C28H26ClNO3S
    CROSS REFERENCES
    731795 logo

    canSAR731795

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.13
    AlogP 7.06
    HBond donors 2
    HBond acceptors 4
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR731795.