General Information of the Compound
| Compound ID |
CP0529996
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| Compound Name |
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(ethyl)amino)acetamide
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| Structure |
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| Formula |
C25H27F7N2O2
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| Molecular Weight |
520.489
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| Canonical SMILES |
CCN(CC(N)=O)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1
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| InChI |
InChI=1S/C25H27F7N2O2/c1-3-34(13-22(33)35)20-8-9-21(23(20)15-4-6-19(26)7-5-15)36-14(2)16-10-17(24(27,28)29)12-18(11-16)25(30,31)32/h4-7,10-12,14,20-21,23H,3,8-9,13H2,1-2H3,(H2,33,35)/t14-,20-,21+,23+/m1/s1
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| InChIKey |
UPEIBXKUEROVRV-XGXIMLBESA-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