General Information of the Compound
| Compound ID |
CP0966790
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| Compound Name |
(S)-2-ethoxy-5-(3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N
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| InChI |
InChI=1S/C20H17N3O3/c1-2-25-18-9-6-12(10-13(18)11-21)20-22-19(23-26-20)16-5-3-4-15-14(16)7-8-17(15)24/h3-6,9-10,17,24H,2,7-8H2,1H3/t17-/m0/s1
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| InChIKey |
BDLSIEXAHBHVIM-KRWDZBQOSA-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