General Information of the Compound
| Compound ID |
CP0114360
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| Compound Name |
7-{(S)-2-Oxo-5-[3-oxo-3-(3-trifluoromethyl-phenyl)-propyl]-pyrrolidin-1-yl}-heptanoic acid
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| Structure |
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| Formula |
C21H26F3NO4
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| Molecular Weight |
413.436
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| Canonical SMILES |
OC(=O)CCCCCCN1[C@@H](CCC(=O)c2cccc(c2)C(F)(F)F)CCC1=O
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| InChI |
InChI=1S/C21H26F3NO4/c22-21(23,24)16-7-5-6-15(14-16)18(26)11-9-17-10-12-19(27)25(17)13-4-2-1-3-8-20(28)29/h5-7,14,17H,1-4,8-13H2,(H,28,29)/t17-/m0/s1
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| InChIKey |
RFKBUOOIXPMTCS-KRWDZBQOSA-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