General Information of the Compound
| Compound ID |
CP0381134
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H27F5N4O3
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| Molecular Weight |
526.506
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3ccc[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C25H27F5N4O3/c26-19-5-1-3-17(21(19)27)16-6-7-20(23(36)34(13-16)14-25(28,29)30)32-24(37)33-11-8-15(9-12-33)18-4-2-10-31-22(18)35/h1-5,10,15-16,20H,6-9,11-14H2,(H,31,35)(H,32,37)/t16-,20-/m1/s1
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| InChIKey |
SRNUFLPARKRBGV-OXQOHEQNSA-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