General Information of the Compound
| Compound ID |
CP0189821
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| Compound Name |
7-{(S)-2-[(R)-3-Hydroxy-3-(4'-hydroxy-2'-methyl-biphenyl-3-yl)-propyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
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| Structure |
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| Formula |
C27H35NO5
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| Molecular Weight |
453.579
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| Canonical SMILES |
Cc1cc(O)ccc1-c1cccc(c1)[C@H](O)CC[C@H]1CCC(=O)N1CCCCCCC(O)=O
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| InChI |
InChI=1S/C27H35NO5/c1-19-17-23(29)12-13-24(19)20-7-6-8-21(18-20)25(30)14-10-22-11-15-26(31)28(22)16-5-3-2-4-9-27(32)33/h6-8,12-13,17-18,22,25,29-30H,2-5,9-11,14-16H2,1H3,(H,32,33)/t22-,25+/m0/s1
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| InChIKey |
DAVBJPPTCGZHGQ-WIOPSUGQSA-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