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canSAR1018499
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NAMES
    SMILES
    c1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1
    InChI
    InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
    MOLECULAR FORMULA
    C21H25N5S
    CROSS REFERENCES
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    canSAR1018499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.18
    AlogP 4.21
    HBond donors 0
    HBond acceptors 5
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1018499.