General Information of the Compound
| Compound ID |
CP0532944
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| Compound Name |
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
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| Formula |
C19H21N5OS
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| Molecular Weight |
367.478
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| Canonical SMILES |
O=C(N1CCC[C@@H](C1)c1ccnc2ncnn12)c1cc2CCCCc2s1
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| InChI |
InChI=1S/C19H21N5OS/c25-18(17-10-13-4-1-2-6-16(13)26-17)23-9-3-5-14(11-23)15-7-8-20-19-21-12-22-24(15)19/h7-8,10,12,14H,1-6,9,11H2/t14-/m0/s1
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| InChIKey |
QYJIOEJITUVZBJ-AWEZNQCLSA-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