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canSAR227751
FEATURES
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NAMES
    SMILES
    N=C(N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1
    InChI
    InChI=1S/C25H34N6O6S/c26-25(27)29-14-4-3-13-28-23(34)21-8-5-15-31(21)24(35)20(11-12-22(32)33)30-38(36,37)19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,20-21,30H,3-5,8,11-15H2,(H,28,34)(H,32,33)(H4,26,27,29)/t20-,21+/m1/s1
    MOLECULAR FORMULA
    C25H34N6O6S
    CROSS REFERENCES
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    canSAR227751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.23
    AlogP 0.72
    HBond donors 7
    HBond acceptors 12
    Atoms 72
    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 canSAR227751.