General Information of the Compound
| Compound ID |
CP0444231
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| Compound Name |
6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
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| Formula |
C20H18Cl2N4O
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| Molecular Weight |
401.297
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)N1CCC2(CCC2)C1
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| InChI |
InChI=1S/C20H18Cl2N4O/c21-14-5-4-13(11-15(14)22)26-17-16(3-1-9-23-17)24-18(26)19(27)25-10-8-20(12-25)6-2-7-20/h1,3-5,9,11H,2,6-8,10,12H2
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| InChIKey |
LRAMFDBWJAUQGJ-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