General Information of the Compound
| Compound ID |
CP0376637
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| Compound Name |
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-N-(2-methoxyethyl)acetamide
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| Structure |
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| Formula |
C27H31F7N2O3
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| Molecular Weight |
564.542
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| Canonical SMILES |
COCCNC(=O)CN(C)[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/C27H31F7N2O3/c1-16(18-12-19(26(29,30)31)14-20(13-18)27(32,33)34)39-23-9-8-22(25(23)17-4-6-21(28)7-5-17)36(2)15-24(37)35-10-11-38-3/h4-7,12-14,16,22-23,25H,8-11,15H2,1-3H3,(H,35,37)/t16-,22-,23+,25+/m1/s1
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| InChIKey |
PTYBAWAKWJULSH-CSEYDVTNSA-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