canSAR1502969
FEATURES
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NAMES
    SMILES
    N#Cc1ccccc1CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
    InChI
    InChI=1S/C21H26N6S/c22-15-17-9-3-4-10-18(17)16-28-21-24-19(26-11-5-1-6-12-26)23-20(25-21)27-13-7-2-8-14-27/h3-4,9-10H,1-2,5-8,11-14,16H2
    MOLECULAR FORMULA
    C21H26N6S
    CROSS REFERENCES
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    canSAR1502969
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight394.19
    AlogP4.02
    HBond donors0
    HBond acceptors6
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502969.