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canSAR1861814
FEATURES
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NAMES
    SMILES
    C[C@@H]1CCCCO[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
    InChI
    InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21-,22-,28-/m1/s1
    MOLECULAR FORMULA
    C29H42ClN3O6S
    CROSS REFERENCES
    1861814 logo

    canSAR1861814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.25
    AlogP 4.50
    HBond donors 2
    HBond acceptors 9
    Atoms 82
    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 canSAR1861814.