canSAR1417438
FEATURES
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NAMES
    SMILES
    O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccccc1
    InChI
    InChI=1S/C21H23N5OS/c27-19(23-17-7-3-1-4-8-17)15-28-21-25-24-20(16-11-13-22-14-12-16)26(21)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,23,27)
    MOLECULAR FORMULA
    C21H23N5OS
    CROSS REFERENCES
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    canSAR1417438
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight393.16
    AlogP4.58
    HBond donors1
    HBond acceptors6
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417438.