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canSAR1685973
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NAMES
    SMILES
    O=C(CSc1nnc(-c2ccccc2Cl)[nH]1)NCCCc1ccccc1
    InChI
    InChI=1S/C19H19ClN4OS/c20-16-11-5-4-10-15(16)18-22-19(24-23-18)26-13-17(25)21-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,21,25)(H,22,23,24)
    MOLECULAR FORMULA
    C19H19ClN4OS
    CROSS REFERENCES
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    canSAR1685973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.10
    AlogP 3.97
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685973.