General Information of the Compound
| Compound ID |
CP0105307
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| Compound Name |
N-[(3S,4R)-3-fluoro-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
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| Structure |
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| Formula |
C22H23F4N7O
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| Molecular Weight |
477.466
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| Canonical SMILES |
CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-5-17(6-3-15)33-14-28-29-30-33)19-8-9-32(13-18(19)23)12-16-4-7-20(27-11-16)22(24,25)26/h2-7,11,14,18-19H,8-10,12-13H2,1H3/t18-,19+/m0/s1
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| InChIKey |
FFVOALNBSADVPY-RBUKOAKNSA-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