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canSAR1972614
FEATURES
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NAMES
    SMILES
    COc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1
    InChI
    InChI=1S/C21H26N4O5S/c1-29-16-5-2-4-15(12-16)25(14-19(27)23-13-17-6-3-10-30-17)20(28)8-7-18(26)24-21-22-9-11-31-21/h2,4-5,9,11-12,17H,3,6-8,10,13-14H2,1H3,(H,23,27)(H,22,24,26)
    MOLECULAR FORMULA
    C21H26N4O5S
    CROSS REFERENCES
    1972614 logo

    canSAR1972614

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.16
    AlogP 2.20
    HBond donors 2
    HBond acceptors 9
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1972614.