General Information of the Compound
| Compound ID |
CP0138863
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| Compound Name |
2-cyclopentyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
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| Structure |
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| Formula |
C19H18N2O2
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| Molecular Weight |
306.365
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncccc12
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| InChI |
InChI=1S/C19H18N2O2/c22-19(23)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-21-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,20,21)(H,22,23)
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| InChIKey |
QLMHELCDKYDUPA-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: PT06341, Calcium/calmodulin-dependent protein kinase kinase 2
Protein ID: PT01563, Calcium/calmodulin-dependent protein kinase kinase 2