General Information of the Compound
| Compound ID |
CP0473878
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| Compound Name |
1'-(5-(methylsulfonyl)-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C20H19N3O4S
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| Molecular Weight |
397.456
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| Canonical SMILES |
CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C20H19N3O4S/c1-28(25,26)13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)27-20/h2-7,12H,8-11H2,1H3,(H,21,22)
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| InChIKey |
OOFZXDNGMLQFMR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound