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canSAR1596222
FEATURES
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NAMES
    SMILES
    NC(S)=Nn1c(CCC(=O)O)ccc1-c1ccccc1
    InChI
    InChI=1S/C14H15N3O2S/c15-14(20)16-17-11(7-9-13(18)19)6-8-12(17)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,18,19)(H3,15,16,20)
    MOLECULAR FORMULA
    C14H15N3O2S
    CROSS REFERENCES
    1596222 logo

    canSAR1596222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 289.09
    AlogP 2.18
    HBond donors 3
    HBond acceptors 5
    Atoms 35
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596222.