General Information of the Compound
| Compound ID |
CP0443077
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| Compound Name |
4-fluoro-N-[(1R,2S)-2-(3-phenylpropylamino)cyclohexyl]benzamide
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| Structure |
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| Formula |
C22H27FN2O
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| Molecular Weight |
354.469
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1
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| InChI |
InChI=1S/C22H27FN2O/c23-19-14-12-18(13-15-19)22(26)25-21-11-5-4-10-20(21)24-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,12-15,20-21,24H,4-6,9-11,16H2,(H,25,26)/t20-,21+/m0/s1
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| InChIKey |
UJHWCJUZWHHXMI-LEWJYISDSA-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