783340 logo
canSAR783340
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C(=C\c1csc(C)n1)[C@@H]1C[C@H](O)[C@@](C)(Cl)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
    InChI
    InChI=1S/C27H42ClNO6S/c1-15-9-8-10-27(7,28)22(31)12-20(16(2)11-19-14-36-18(4)29-19)35-23(32)13-21(30)26(5,6)25(34)17(3)24(15)33/h11,14-15,17,20-22,24,30-31,33H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27-/m0/s1
    MOLECULAR FORMULA
    C27H42ClNO6S
    CROSS REFERENCES
    783340 logo

    canSAR783340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.24
    AlogP 4.68
    HBond donors 3
    HBond acceptors 7
    Atoms 78
    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 canSAR783340.