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canSAR1150381
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
    InChI
    InChI=1S/C27H44N4O5S2/c1-15(5-8-22(34)29-24-31(4)30-25(37-24)38(28,35)36)18-6-7-19-23-20(10-12-27(18,19)3)26(2)11-9-17(32)13-16(26)14-21(23)33/h15-21,23,32-33H,5-14H2,1-4H3,(H2,28,35,36)/b29-24-/t15-,16+,17-,18-,19+,20+,21-,23+,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H44N4O5S2
    CROSS REFERENCES
    1150381 logo

    canSAR1150381

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.28
    AlogP 2.96
    HBond donors 4
    HBond acceptors 9
    Atoms 82
    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 canSAR1150381.