General Information of the Compound
| Compound ID |
CP0342687
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| Compound Name |
N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
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| Structure |
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| Formula |
C23H24F4N6O
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| Molecular Weight |
476.478
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| Canonical SMILES |
CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1
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| InChIKey |
IFGKACWCWSTXBV-RTWAWAEBSA-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