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canSAR1826537
FEATURES
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NAMES
    SMILES
    CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1
    InChI
    InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)
    MOLECULAR FORMULA
    C29H39N5O6S
    CROSS REFERENCES
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    canSAR1826537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.26
    AlogP 2.14
    HBond donors 3
    HBond acceptors 11
    Atoms 80
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826537.