General Information of the Compound
| Compound ID |
CP0532946
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| Compound Name |
7-[1-(1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
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| Formula |
C20H19F2N5O
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| Molecular Weight |
383.402
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| Canonical SMILES |
FC(F)c1cc(C2CCCN(Cc3ccc4occc4c3)C2)n2ncnc2n1
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| InChI |
InChI=1S/C20H19F2N5O/c21-19(22)16-9-17(27-20(25-16)23-12-24-27)15-2-1-6-26(11-15)10-13-3-4-18-14(8-13)5-7-28-18/h3-5,7-9,12,15,19H,1-2,6,10-11H2
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| InChIKey |
BEOURKOWEYUKPI-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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A