canSAR1809891
FEATURES
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NAMES
    SMILES
    CCOc1ccc2nc(CN3CCN(Cc4ccsc4)C(CCO)C3)ccc2c1
    InChI
    InChI=1S/C23H29N3O2S/c1-2-28-22-5-6-23-19(13-22)3-4-20(24-23)15-25-9-10-26(21(16-25)7-11-27)14-18-8-12-29-17-18/h3-6,8,12-13,17,21,27H,2,7,9-11,14-16H2,1H3
    MOLECULAR FORMULA
    C23H29N3O2S
    CROSS REFERENCES
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    canSAR1809891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight411.20
    AlogP3.76
    HBond donors1
    HBond acceptors5
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809891.