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canSAR831869
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NAMES
    SMILES
    CC1=C(c2nc(C(C)(C)C)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3
    InChI
    InChI=1S/C22H31NO4S/c1-12-7-8-15-13(2)17(18-23-16(11-28-18)20(3,4)5)24-19-22(15)14(12)9-10-21(6,25-19)26-27-22/h11-12,14-15,19H,7-10H2,1-6H3/t12-,14+,15+,19-,21-,22-/m1/s1
    MOLECULAR FORMULA
    C22H31NO4S
    CROSS REFERENCES
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    canSAR831869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.20
    AlogP 5.42
    HBond donors 0
    HBond acceptors 5
    Atoms 59
    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 canSAR831869.