General Information of the Compound
| Compound ID |
CP0130566
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| Compound Name |
2-cyclopentyl-4-thieno[3,2-d]pyrimidin-4-ylbenzoic acid
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| Formula |
C18H16N2O2S
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| Molecular Weight |
324.405
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1ncnc2ccsc12
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| InChI |
InChI=1S/C18H16N2O2S/c21-18(22)13-6-5-12(9-14(13)11-3-1-2-4-11)16-17-15(7-8-23-17)19-10-20-16/h5-11H,1-4H2,(H,21,22)
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| InChIKey |
OKIHVJIMTWMQNF-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: PT01563, Calcium/calmodulin-dependent protein kinase kinase 2