General Information of the Compound
| Compound ID |
CP0551227
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| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-methylcyclopentanamine
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| Structure |
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| Formula |
C25H28F7NO2
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| Molecular Weight |
507.49
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| Canonical SMILES |
COCCN(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/C25H28F7NO2/c1-15(17-12-18(24(27,28)29)14-19(13-17)25(30,31)32)35-22-9-8-21(33(2)10-11-34-3)23(22)16-4-6-20(26)7-5-16/h4-7,12-15,21-23H,8-11H2,1-3H3/t15-,21-,22+,23+/m1/s1
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| InChIKey |
KUABBMFFSKTSBO-IOTOJMDBSA-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