1144388 logo
canSAR1144388
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2OCCc2ccccc2)SC1=S
    InChI
    InChI=1S/C27H23NO4S2/c29-25-24(34-27(33)28(25)22(26(30)31)17-20-11-5-2-6-12-20)18-21-13-7-8-14-23(21)32-16-15-19-9-3-1-4-10-19/h1-14,18,22H,15-17H2,(H,30,31)/b24-18-/t22-/m0/s1
    MOLECULAR FORMULA
    C27H23NO4S2
    CROSS REFERENCES
    1144388 logo

    canSAR1144388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.11
    AlogP 5.21
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR1144388.