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canSAR1152150
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[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/C30H46N2O6S/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/h5-8,17-18,20,22-26,28,33-35H,4,9-16H2,1-3H3,(H,32,36)(H2,31,37,38)/t17-,18+,20-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H46N2O6S
    CROSS REFERENCES
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    canSAR1152150

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.31
    AlogP 3.65
    HBond donors 6
    HBond acceptors 8
    Atoms 85
    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 canSAR1152150.