canSAR824224
FEATURES
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NAMES
    SMILES
    CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]1C2
    InChI
    InChI=1S/C28H35N3O4S/c1-28(2)21-18-20(10-6-3-4-9-13-26(32)33)27(25(28)19-21)31-36(34,35)24-16-14-23(15-17-24)30-29-22-11-7-5-8-12-22/h3,5-8,11-12,14-17,20-21,25,27,31H,4,9-10,13,18-19H2,1-2H3,(H,32,33)/b6-3-,30-29+/t20-,21-,25-,27+/m0/s1
    MOLECULAR FORMULA
    C28H35N3O4S
    CROSS REFERENCES
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    canSAR824224
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.23
    AlogP6.63
    HBond donors2
    HBond acceptors7
    Atoms71
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824224.