General Information of the Compound
| Compound ID |
CP0458104
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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)-1-morpholinoethanone
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| Structure |
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| Formula |
C28H31F7N2O3
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| Molecular Weight |
576.553
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H31F7N2O3/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)40-24-8-7-23(26(24)18-3-5-22(29)6-4-18)36(2)16-25(38)37-9-11-39-12-10-37/h3-6,13-15,17,23-24,26H,7-12,16H2,1-2H3/t17-,23-,24+,26+/m1/s1
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| InChIKey |
BBCKQZTZCGMHOM-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