1431605 logo
canSAR1431605
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccccc1C(=O)NCc1ccccc1)C(=O)N2
    InChI
    InChI=1S/C25H25N5O4S/c1-16(2)30-35(33,34)18-12-13-21-20(14-18)23(25(32)27-21)29-28-22-11-7-6-10-19(22)24(31)26-15-17-8-4-3-5-9-17/h3-14,16,28,30H,15H2,1-2H3,(H,26,31)(H,27,29,32)
    MOLECULAR FORMULA
    C25H25N5O4S
    CROSS REFERENCES
    1431605 logo

    canSAR1431605

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.16
    AlogP 3.07
    HBond donors 4
    HBond acceptors 9
    Atoms 60
    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 canSAR1431605.