General Information of the Compound
| Compound ID |
CP0484242
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| Compound Name |
1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
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| Formula |
C20H22N6O2S
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| Molecular Weight |
410.503
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| Canonical SMILES |
CC(=O)N1CCN(CC1c1ccnc2ncnn12)C(=O)c1cc2CCCCc2s1
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| InChI |
InChI=1S/C20H22N6O2S/c1-13(27)25-9-8-24(19(28)18-10-14-4-2-3-5-17(14)29-18)11-16(25)15-6-7-21-20-22-12-23-26(15)20/h6-7,10,12,16H,2-5,8-9,11H2,1H3
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| InChIKey |
CITSEULZEGDDHR-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