General Information of the Compound
| Compound ID |
CP0147400
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| Compound Name |
(5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-7-methylazepan-2-one
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| Structure |
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| Formula |
C23H22F7NO2
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| Molecular Weight |
477.42
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| Canonical SMILES |
C[C@@H](O[C@H]1CCC(=O)N[C@@H](C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H22F7NO2/c1-12-21(14-3-5-18(24)6-4-14)19(7-8-20(32)31-12)33-13(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h3-6,9-13,19,21H,7-8H2,1-2H3,(H,31,32)/t12-,13+,19-,21+/m0/s1
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| InChIKey |
YFKDOMJVBVEBIG-YMPJLZLPSA-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