General Information of the Compound
| Compound ID |
CP0453095
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| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-ethyl-2-(4-fluorophenyl)cyclopentanamine
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| Structure |
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| Formula |
C23H24F7NO
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| Molecular Weight |
463.437
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| Canonical SMILES |
CCN[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/C23H24F7NO/c1-3-31-19-8-9-20(21(19)14-4-6-18(24)7-5-14)32-13(2)15-10-16(22(25,26)27)12-17(11-15)23(28,29)30/h4-7,10-13,19-21,31H,3,8-9H2,1-2H3/t13-,19-,20+,21+/m1/s1
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| InChIKey |
HXYBGSBEAXRDNM-XXOQXHNZSA-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