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canSAR1443934
FEATURES
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NAMES
    SMILES
    COC(=O)C/C=C/[C@@H](C)[C@@H](C=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)NS(=O)(=O)c1ccc(C)cc1
    InChI
    InChI=1S/C30H42N2O6S/c1-22(2)30(37-21-26-12-8-7-9-13-26)25(5)20-38-31-19-28(24(4)11-10-14-29(33)36-6)32-39(34,35)27-17-15-23(3)16-18-27/h7-13,15-19,22,24-25,28,30,32H,14,20-21H2,1-6H3/b11-10+,31-19?/t24-,25-,28-,30-/m1/s1
    MOLECULAR FORMULA
    C30H42N2O6S
    CROSS REFERENCES
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    canSAR1443934

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.28
    AlogP 5.28
    HBond donors 1
    HBond acceptors 8
    Atoms 81
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1443934.