General Information of the Compound
| Compound ID |
CP0537969
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| Compound Name |
(R/S) 3-[3- ({Cyclopentyl[4-(5- methylpyridin-3-yl)- phenyl]acetyl}amino)-2- methylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
Cc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
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| InChI |
InChI=1S/C29H32N2O3/c1-19-16-25(18-30-17-19)22-10-12-24(13-11-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)14-15-27(32)33/h5,8-13,16-18,23,28H,3-4,6-7,14-15H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
YZJMHVHSNRSMQJ-UHFFFAOYSA-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
Protein ID: PT02025, Prostaglandin E synthase
Protein ID: PT05838, Prostaglandin E synthase