General Information of the Compound
| Compound ID |
CP0486439
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| Compound Name |
[1-(5-chloro-6-methoxypyridin-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
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| Structure |
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| Formula |
C17H14ClFN4O2
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| Molecular Weight |
360.776
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| Canonical SMILES |
COc1ncc(cc1Cl)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
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| InChI |
InChI=1S/C17H14ClFN4O2/c1-25-16-13(18)6-12(7-21-16)23-14(17(24)22-8-11(19)9-22)5-10-3-2-4-20-15(10)23/h2-7,11H,8-9H2,1H3
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| InChIKey |
PLMXLCVILHGCKF-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D