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canSAR55203
FEATURES
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NAMES
    SMILES
    O=C(CCc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)s1)NC1=NCCCN1
    InChI
    InChI=1S/C27H29N5O6S2/c33-24(31-27-28-15-4-16-29-27)14-10-20-9-13-23(39-20)25(34)30-17-22(26(35)36)32-40(37,38)21-11-7-19(8-12-21)18-5-2-1-3-6-18/h1-3,5-9,11-13,22,32H,4,10,14-17H2,(H,30,34)(H,35,36)(H2,28,29,31,33)/t22-/m0/s1
    MOLECULAR FORMULA
    C27H29N5O6S2
    CROSS REFERENCES
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    canSAR55203

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.16
    AlogP 1.97
    HBond donors 5
    HBond acceptors 11
    Atoms 69
    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 canSAR55203.