General Information of the Compound
| Compound ID |
CP0468120
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| Compound Name |
(3S)-3-ethoxy-3-[6-[[(3S)-7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]pyridin-3-yl]propanoic acid
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| Structure |
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| Formula |
C19H18F3NO5
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| Molecular Weight |
397.349
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)nc1
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| InChI |
InChI=1S/C19H18F3NO5/c1-2-26-14(8-17(24)25)11-6-7-16(23-9-11)28-15-10-27-18-12(15)4-3-5-13(18)19(20,21)22/h3-7,9,14-15H,2,8,10H2,1H3,(H,24,25)/t14-,15+/m0/s1
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| InChIKey |
CQEBFARCIVYEHJ-LSDHHAIUSA-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