General Information of the Compound
| Compound ID |
CP0467299
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| Compound Name |
4-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)methyl)-1H-imidazol-2(3H)-one
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| Structure |
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| Formula |
C26H26F7N3O2
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| Molecular Weight |
545.499
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1c[nH]c(=O)[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H26F7N3O2/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-8-7-21(23(22)15-3-5-19(27)6-4-15)36(2)13-20-12-34-24(37)35-20/h3-6,9-12,14,21-23H,7-8,13H2,1-2H3,(H2,34,35,37)/t14-,21-,22+,23+/m1/s1
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| InChIKey |
JTRGNZGZWJSRSX-NCEZUQNJSA-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