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canSAR1014739
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)NC(=O)O[C@H]2CCOC2)cc1
    InChI
    InChI=1S/C33H40N2O9S/c1-22(2)19-35(45(40,41)29-14-12-27(42-3)13-15-29)20-31(36)30(34-33(39)44-28-16-17-43-21-28)18-23-4-6-24(7-5-23)25-8-10-26(11-9-25)32(37)38/h4-15,22,28,30-31,36H,16-21H2,1-3H3,(H,34,39)(H,37,38)/t28-,30-,31+/m0/s1
    MOLECULAR FORMULA
    C33H40N2O9S
    CROSS REFERENCES
    1014739 logo

    canSAR1014739

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 640.25
    AlogP 4.19
    HBond donors 3
    HBond acceptors 11
    Atoms 85
    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 canSAR1014739.