General Information of the Compound
| Compound ID |
CP0440787
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| Compound Name |
(1R,2S)-N-(4-fluorophenyl)-2-(1H-indol-3-ylmethylamino)cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H24FN3O
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| Molecular Weight |
365.452
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| Canonical SMILES |
Fc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2NCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C22H24FN3O/c23-16-9-11-17(12-10-16)26-22(27)19-6-2-4-8-21(19)25-14-15-13-24-20-7-3-1-5-18(15)20/h1,3,5,7,9-13,19,21,24-25H,2,4,6,8,14H2,(H,26,27)/t19-,21+/m1/s1
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| InChIKey |
ALZKIEOFIQKKKY-CTNGQTDRSA-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