1718331 logo
canSAR1718331
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H]1C
    InChI
    InChI=1S/C21H33NO6S/c1-15-7-5-10-20(24)27-14-18(26-3)16(2)8-6-9-19(23)22-17(11-12-29-4)21(25)28-13-15/h5-8,15-18H,9-14H2,1-4H3,(H,22,23)/b7-5-,8-6-/t15-,16+,17-,18+/m1/s1
    MOLECULAR FORMULA
    C21H33NO6S
    CROSS REFERENCES
    1718331 logo

    canSAR1718331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.20
    AlogP 2.50
    HBond donors 1
    HBond acceptors 7
    Atoms 62
    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 canSAR1718331.