canSAR1582996
FEATURES
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NAMES
    SMILES
    C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NC1CCCC1
    InChI
    InChI=1S/C21H27N5O2S/c1-3-12-26-18(13-22-20(28)17-11-7-4-8-15(17)2)24-25-21(26)29-14-19(27)23-16-9-5-6-10-16/h3-4,7-8,11,16H,1,5-6,9-10,12-14H2,2H3,(H,22,28)(H,23,27)
    MOLECULAR FORMULA
    C21H27N5O2S
    CROSS REFERENCES
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    canSAR1582996
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight413.19
    AlogP2.85
    HBond donors2
    HBond acceptors7
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1582996.