General Information of the Compound
| Compound ID |
CP0498448
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| Compound Name |
(2-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCC[C@@H](C1)c1ccnc2ncnn12
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| InChI |
InChI=1S/C18H19N5O2/c1-25-16-7-3-2-6-14(16)17(24)22-10-4-5-13(11-22)15-8-9-19-18-20-12-21-23(15)18/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t13-/m0/s1
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| InChIKey |
BSZQESOEXLPIBQ-ZDUSSCGKSA-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: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B