General Information of the Compound
| Compound ID |
CP0456463
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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)-N-methylacetamide
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| Structure |
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| Formula |
C28H33F7N2O3
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| Molecular Weight |
578.569
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| Canonical SMILES |
COCCN(C)C(=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/C28H33F7N2O3/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)40-24-10-9-23(26(24)18-5-7-22(29)8-6-18)37(3)16-25(38)36(2)11-12-39-4/h5-8,13-15,17,23-24,26H,9-12,16H2,1-4H3/t17-,23-,24+,26+/m1/s1
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| InChIKey |
RUTKNWZWCDYBRI-NUYCEAJWSA-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