General Information of the Compound
| Compound ID |
CP0530661
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| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
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| Structure |
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| Formula |
C27H25F7N2O
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| Molecular Weight |
526.496
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@H](NCc2cccnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H25F7N2O/c1-16(19-11-20(26(29,30)31)13-21(12-19)27(32,33)34)37-24-9-8-23(36-15-17-3-2-10-35-14-17)25(24)18-4-6-22(28)7-5-18/h2-7,10-14,16,23-25,36H,8-9,15H2,1H3/t16-,23-,24+,25+/m1/s1
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| InChIKey |
HYZLLOJCJGJTLA-AMKSYCFISA-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