General Information of the Compound
| Compound ID |
CP0490171
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| Compound Name |
1'-(4-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C20H16F3N3O2
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| Molecular Weight |
387.361
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| Canonical SMILES |
FC(F)(F)c1cccc2nc([nH]c12)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-3-7-15-16(14)25-18(24-15)26-10-8-19(9-11-26)13-5-2-1-4-12(13)17(27)28-19/h1-7H,8-11H2,(H,24,25)
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| InChIKey |
OYMGEHJIAFYRKS-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