canSAR824093
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
    InChI
    InChI=1S/C30H40N2O6S/c1-17(4-11-27(36)32-19-5-7-21(8-6-19)39(31,37)38)22-9-10-23-28-24(16-26(35)30(22,23)3)29(2)13-12-20(33)14-18(29)15-25(28)34/h5-8,17-18,22-24,28H,4,9-16H2,1-3H3,(H,32,36)(H2,31,37,38)/t17-,18+,22-,23+,24+,28?,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H40N2O6S
    CROSS REFERENCES
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    canSAR824093
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight556.26
    AlogP4.27
    HBond donors3
    HBond acceptors8
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824093.