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canSAR828975
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1)[C@H]1CC[C@H]2C3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
    InChI
    InChI=1S/C31H44N2O7S2/c1-16(4-9-27(37)40-19-5-8-23-25(14-19)41-29(33-23)42(32,38)39)20-6-7-21-28-22(15-26(36)31(20,21)3)30(2)11-10-18(34)12-17(30)13-24(28)35/h5,8,14,16-18,20-22,24,26,28,34-36H,4,6-7,9-13,15H2,1-3H3,(H2,32,38,39)/t16-,17+,18-,20-,21+,22+,24-,26+,28?,30+,31-/m1/s1
    MOLECULAR FORMULA
    C31H44N2O7S2
    CROSS REFERENCES
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    canSAR828975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.26
    AlogP 4.23
    HBond donors 5
    HBond acceptors 9
    Atoms 86
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828975.