General Information of the Compound
Compound ID |
CP0500072
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Compound Name |
1-benzofuran-5-yl-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
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Formula |
C21H19F2N5O2
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Molecular Weight |
411.412
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Canonical SMILES |
CC1CCN(CC1c1cc(nc2ncnn12)C(F)F)C(=O)c1ccc2occc2c1
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InChI |
InChI=1S/C21H19F2N5O2/c1-12-4-6-27(20(29)14-2-3-18-13(8-14)5-7-30-18)10-15(12)17-9-16(19(22)23)26-21-24-11-25-28(17)21/h2-3,5,7-9,11-12,15,19H,4,6,10H2,1H3
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InChIKey |
LYEXNMDIPNPRIQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
Protein ID: PT03254, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A