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canSAR1407055
FEATURES
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NAMES
    SMILES
    C=CCn1c(SCC(=O)NCC2CCCO2)nc2c3ccccc3nc-2c1O
    InChI
    InChI=1S/C20H22N4O3S/c1-2-9-24-19(26)18-17(14-7-3-4-8-15(14)22-18)23-20(24)28-12-16(25)21-11-13-6-5-10-27-13/h2-4,7-8,13,26H,1,5-6,9-12H2,(H,21,25)
    MOLECULAR FORMULA
    C20H22N4O3S
    CROSS REFERENCES
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    canSAR1407055

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.14
    AlogP 2.81
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR1407055.