General Information of the Compound
| Compound ID |
CP0456464
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| Compound Name |
(S)-5-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentylamino)methyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C26H27F7N2O2
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| Molecular Weight |
532.5
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H27F7N2O2/c1-14(16-10-17(25(28,29)30)12-18(11-16)26(31,32)33)37-22-8-7-21(34-13-20-6-9-23(36)35-20)24(22)15-2-4-19(27)5-3-15/h2-5,10-12,14,20-22,24,34H,6-9,13H2,1H3,(H,35,36)/t14-,20+,21-,22+,24+/m1/s1
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| InChIKey |
TTYKBSXKWCQPFQ-OCGBXCADSA-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