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canSAR150578
FEATURES
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NAMES
    SMILES
    CCCCOP(=O)(CCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCCCC
    InChI
    InChI=1S/C26H35N2O3PS/c1-3-5-18-30-32(29,31-19-6-4-2)20-13-21-33-26-27-24(22-14-9-7-10-15-22)25(28-26)23-16-11-8-12-17-23/h7-12,14-17H,3-6,13,18-21H2,1-2H3,(H,27,28)
    MOLECULAR FORMULA
    C26H35N2O3PS
    CROSS REFERENCES
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    canSAR150578

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.21
    AlogP 8.05
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR150578.