canSAR285677
FEATURES
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NAMES
    SMILES
    CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@H](O)C(C)(C)O3)CC1
    InChI
    InChI=1S/C25H30ClN5O4S/c1-16-10-12-31(13-11-16)36(33,34)19-8-9-21-20(14-19)22(23(32)25(2,3)35-21)30-24(28-15-27)29-18-6-4-17(26)5-7-18/h4-9,14,16,22-23,32H,10-13H2,1-3H3,(H2,28,29,30)/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C25H30ClN5O4S
    CROSS REFERENCES
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    canSAR285677
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight531.17
    AlogP3.87
    HBond donors3
    HBond acceptors9
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR285677.