General Information of the Compound
| Compound ID |
CP0532947
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| Compound Name |
7-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
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| Formula |
C20H20N6OS
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| Molecular Weight |
392.488
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| Canonical SMILES |
O=C(N1CCCC(C1)c1cc(nc2ncnn12)C#N)c1cc2CCCCc2s1
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| InChI |
InChI=1S/C20H20N6OS/c21-10-15-9-16(26-20(24-15)22-12-23-26)14-5-3-7-25(11-14)19(27)18-8-13-4-1-2-6-17(13)28-18/h8-9,12,14H,1-7,11H2
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| InChIKey |
OEYHDFBDGFEAHO-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: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B