1130253 logo
canSAR1130253
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
    InChI
    InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1
    MOLECULAR FORMULA
    C26H35N5O6S
    CROSS REFERENCES
    1130253 logo

    canSAR1130253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.23
    AlogP -0.77
    HBond donors 8
    HBond acceptors 11
    Atoms 73
    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 canSAR1130253.