General Information of the Compound
| Compound ID |
CP0953687
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| Compound Name |
6-(8-fluoro-2-naphthyl)-3-[2-methyl-1-(1H-tetrazol-5-ylmethyl)propyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C21H20FN5O
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| Molecular Weight |
377.423
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| Canonical SMILES |
CC(C)C(Cc1nnn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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| InChI |
InChI=1S/C21H20FN5O/c1-12(2)16(11-20-24-26-27-25-20)15-8-9-19(23-21(15)28)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H,23,28)(H,24,25,26,27)
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| InChIKey |
OCYUMGRKUROFGX-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