General Information of the Compound
| Compound ID |
CP0535023
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| Compound Name |
5-(difluoromethyl)-7-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
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| Formula |
C20H23F2N5O2
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| Molecular Weight |
403.433
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| Canonical SMILES |
COc1ccc(CN2CCCC(C2)c2cc(nc3ncnn23)C(F)F)cc1OC
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| InChI |
InChI=1S/C20H23F2N5O2/c1-28-17-6-5-13(8-18(17)29-2)10-26-7-3-4-14(11-26)16-9-15(19(21)22)25-20-23-12-24-27(16)20/h5-6,8-9,12,14,19H,3-4,7,10-11H2,1-2H3
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| InChIKey |
SFLONIYJGKAXRQ-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