115317 logo
canSAR115317
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(OCCCCN(C)C2CCCCC2)c(C2Sc3ccccc3N2C(C)=O)c1
    InChI
    InChI=1S/C27H36N2O3S/c1-20(30)29-24-13-7-8-14-26(24)33-27(29)23-19-22(31-3)15-16-25(23)32-18-10-9-17-28(2)21-11-5-4-6-12-21/h7-8,13-16,19,21,27H,4-6,9-12,17-18H2,1-3H3
    MOLECULAR FORMULA
    C27H36N2O3S
    CROSS REFERENCES
    115317 logo

    canSAR115317

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.24
    AlogP 6.28
    HBond donors 0
    HBond acceptors 5
    Atoms 69
    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 canSAR115317.