149749 logo
canSAR149749
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)c(Cl)c2)sc2cc(O)ccc12
    InChI
    InChI=1S/C28H26ClNO4S/c29-23-16-19(6-11-24(23)32)28-26(22-10-7-20(31)17-25(22)35-28)27(33)18-4-8-21(9-5-18)34-15-14-30-12-2-1-3-13-30/h4-11,16-17,31-32H,1-3,12-15H2
    MOLECULAR FORMULA
    C28H26ClNO4S
    CROSS REFERENCES
    149749 logo

    canSAR149749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.13
    AlogP 6.73
    HBond donors 2
    HBond acceptors 5
    Atoms 61
    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 canSAR149749.