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canSAR830246
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2C3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
    InChI
    InChI=1S/C30H46N2O5S/c1-18(8-11-27(35)32-24-6-4-5-7-26(24)38(31,36)37)21-9-10-22-28-23(13-15-30(21,22)3)29(2)14-12-20(33)16-19(29)17-25(28)34/h4-7,18-23,25,28,33-34H,8-17H2,1-3H3,(H,32,35)(H2,31,36,37)/t18-,19+,20-,21-,22+,23+,25-,28?,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H46N2O5S
    CROSS REFERENCES
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    canSAR830246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.31
    AlogP 4.68
    HBond donors 5
    HBond acceptors 7
    Atoms 84
    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 canSAR830246.