General Information of the Compound
| Compound ID |
CP0404269
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| Compound Name |
(2S,5R)-5-(2-chlorophenyl)-1-(2'-methoxy-[1,1'-biphenyl]-4-carbonyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C25H22ClNO4
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| Molecular Weight |
435.907
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| Canonical SMILES |
COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H22ClNO4/c1-31-23-9-5-3-6-18(23)16-10-12-17(13-11-16)24(28)27-21(14-15-22(27)25(29)30)19-7-2-4-8-20(19)26/h2-13,21-22H,14-15H2,1H3,(H,29,30)/t21-,22+/m1/s1
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| InChIKey |
MCVFKGHKDGYDHZ-YADHBBJMSA-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