canSAR1647179
FEATURES
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NAMES
    SMILES
    CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1
    InChI
    InChI=1S/C21H28N2O3S/c1-3-21(2,20(25)22-16-8-4-5-9-16)23(15-17-10-6-12-26-17)19(24)14-18-11-7-13-27-18/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,22,25)
    MOLECULAR FORMULA
    C21H28N2O3S
    CROSS REFERENCES
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    canSAR1647179
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight388.18
    AlogP4.14
    HBond donors1
    HBond acceptors5
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1647179.