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canSAR791450
FEATURES
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NAMES
    SMILES
    O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1ccc(-c2ccsc2)nc1
    InChI
    InChI=1S/C26H34N4O4S/c31-24(6-3-18-7-10-27-11-8-18)30-12-1-2-20(16-30)26(34)29-23(14-25(32)33)19-4-5-22(28-15-19)21-9-13-35-17-21/h4-5,9,13,15,17-18,20,23,27H,1-3,6-8,10-12,14,16H2,(H,29,34)(H,32,33)/t20-,23+/m1/s1
    MOLECULAR FORMULA
    C26H34N4O4S
    CROSS REFERENCES
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    canSAR791450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.23
    AlogP 3.46
    HBond donors 3
    HBond acceptors 8
    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 canSAR791450.