781454 logo
canSAR781454
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
    InChI
    InChI=1S/C27H31NO8S/c1-26-11-9-18-25(31)36-21(16-10-12-35-15-16)14-27(18,2)23(26)22(29)20(13-19(26)24(30)34-3)28-37(32,33)17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23,28H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H31NO8S
    CROSS REFERENCES
    781454 logo

    canSAR781454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.18
    AlogP 3.42
    HBond donors 1
    HBond acceptors 9
    Atoms 68
    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 canSAR781454.