canSAR1846851
FEATURES
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NAMES
    SMILES
    COc1ccc(NCc2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2OC)cc1
    InChI
    InChI=1S/C26H27N5O3S/c1-33-21-14-12-20(13-15-21)27-17-24-29-30-26(31(24)22-10-6-7-11-23(22)34-2)35-18-25(32)28-16-19-8-4-3-5-9-19/h3-15,27H,16-18H2,1-2H3,(H,28,32)
    MOLECULAR FORMULA
    C26H27N5O3S
    CROSS REFERENCES
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    canSAR1846851
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight489.18
    AlogP4.31
    HBond donors2
    HBond acceptors8
    Atoms62
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846851.