canSAR1830891
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)C1c1cccnc1
    InChI
    InChI=1S/C28H23N3O2S/c1-18-26(19(2)32)27(23-9-6-14-30-16-23)24(15-29)28(31-18)34-17-25(33)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-14,16,27,31H,17H2,1-2H3
    MOLECULAR FORMULA
    C28H23N3O2S
    CROSS REFERENCES
    Loading...
    canSAR1830891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight465.15
    AlogP5.65
    HBond donors1
    HBond acceptors5
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830891.