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canSAR2018714
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1
    InChI
    InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-11-7-6-8-12-24)38-33(32(29)31(40)17-18-41)27-15-9-13-25(19-27)26-14-10-16-28(20-26)35(43)39(4)5/h6-16,19-21,31,41H,17-18,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1
    MOLECULAR FORMULA
    C36H40N4O4S
    CROSS REFERENCES
    2018714 logo

    canSAR2018714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.28
    AlogP 5.75
    HBond donors 2
    HBond acceptors 8
    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 canSAR2018714.