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canSAR1145131
FEATURES
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NAMES
    SMILES
    NC(=O)c1cccc(OCCCSc2nc3ccccc3[nH]2)c1
    InChI
    InChI=1S/C17H17N3O2S/c18-16(21)12-5-3-6-13(11-12)22-9-4-10-23-17-19-14-7-1-2-8-15(14)20-17/h1-3,5-8,11H,4,9-10H2,(H2,18,21)(H,19,20)
    MOLECULAR FORMULA
    C17H17N3O2S
    CROSS REFERENCES
    1145131 logo

    canSAR1145131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.10
    AlogP 3.22
    HBond donors 3
    HBond acceptors 5
    Atoms 40
    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 canSAR1145131.