General Information of the Compound
| Compound ID |
CP0317812
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| Compound Name |
2-cyclopentyl-4-(5-phenylthieno[2,3-b]pyridin-3-yl)benzoic acid
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| Formula |
C25H21NO2S
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| Molecular Weight |
399.515
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1csc2ncc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C25H21NO2S/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28)
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| InChIKey |
LIHGFLPDHFTNOG-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