General Information of the Compound
| Compound ID |
CP0138917
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| Compound Name |
2-cyclopentyl-4-quinolin-4-ylbenzoic acid
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| Formula |
C21H19NO2
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| Molecular Weight |
317.388
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1ccnc2ccccc12
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| InChI |
InChI=1S/C21H19NO2/c23-21(24)18-10-9-15(13-19(18)14-5-1-2-6-14)16-11-12-22-20-8-4-3-7-17(16)20/h3-4,7-14H,1-2,5-6H2,(H,23,24)
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| InChIKey |
CPATWHLHNLJLTB-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