General Information of the Compound
| Compound ID |
CP0526252
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| Compound Name |
(4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-1,7-dimethylazepan-2-one
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| Structure |
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| Formula |
C24H24F7NO2
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| Molecular Weight |
491.447
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| Canonical SMILES |
C[C@@H](O[C@H]1C[C@@H](C)N(C)C(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H24F7NO2/c1-13-8-21(20(12-22(33)32(13)3)15-4-6-19(25)7-5-15)34-14(2)16-9-17(23(26,27)28)11-18(10-16)24(29,30)31/h4-7,9-11,13-14,20-21H,8,12H2,1-3H3/t13-,14-,20-,21+/m1/s1
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| InChIKey |
SXNSKNFVWYYWIC-PUYQSQJYSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor