1018922 logo
canSAR1018922
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(/C=C2\SC(=S)NC2=O)cc1
    InChI
    InChI=1S/C26H29N3O3S2/c1-4-7-18-8-5-6-9-20(18)27-24(31)21(14-16(2)3)28-23(30)19-12-10-17(11-13-19)15-22-25(32)29-26(33)34-22/h5-6,8-13,15-16,21H,4,7,14H2,1-3H3,(H,27,31)(H,28,30)(H,29,32,33)/b22-15-/t21-/m0/s1
    MOLECULAR FORMULA
    C26H29N3O3S2
    CROSS REFERENCES
    1018922 logo

    canSAR1018922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.17
    AlogP 4.91
    HBond donors 3
    HBond acceptors 6
    Atoms 63
    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 canSAR1018922.