399191 logo
canSAR399191
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[C@H]1CCN[C@@H](C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)C1
    InChI
    InChI=1S/C19H35ClN2O5S/c1-4-5-6-11-7-8-21-12(9-11)18(26)22-13(10(2)20)17-15(24)14(23)16(25)19(27-17)28-3/h10-17,19,21,23-25H,4-9H2,1-3H3,(H,22,26)/t10?,11-,12+,13?,14?,15?,16?,17?,19?/m0/s1
    MOLECULAR FORMULA
    C19H35ClN2O5S
    CROSS REFERENCES
    399191 logo

    canSAR399191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.20
    AlogP 0.83
    HBond donors 5
    HBond acceptors 7
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR399191.