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canSAR2049439
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NAMES
    SMILES
    N#Cc1c(/N=C/c2c[nH]c3ncccc23)sc2c1CCCCCC2
    InChI
    InChI=1S/C19H18N4S/c20-10-16-15-6-3-1-2-4-8-17(15)24-19(16)23-12-13-11-22-18-14(13)7-5-9-21-18/h5,7,9,11-12H,1-4,6,8H2,(H,21,22)/b23-12+
    MOLECULAR FORMULA
    C19H18N4S
    CROSS REFERENCES
    2049439 logo

    canSAR2049439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 334.13
    AlogP 4.91
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    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 canSAR2049439.