General Information of the Compound
| Compound ID |
CP0540143
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| Compound Name |
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azepan-1-yl]methanone
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| Formula |
C20H23N5OS
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| Molecular Weight |
381.505
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| Canonical SMILES |
O=C(N1CCCCC(C1)c1ccnc2ncnn12)c1cc2CCCCc2s1
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| InChI |
InChI=1S/C20H23N5OS/c26-19(18-11-14-5-1-2-7-17(14)27-18)24-10-4-3-6-15(12-24)16-8-9-21-20-22-13-23-25(16)20/h8-9,11,13,15H,1-7,10,12H2
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| InChIKey |
AQNSWPDLHVQTBY-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