General Information of the Compound
| Compound ID |
CP0535017
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| Compound Name |
[3-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
Cc1nc2nc(C)cc(C3CCCN(C3)C(=O)c3cc4CCCCc4s3)n2n1
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| InChI |
InChI=1S/C21H25N5OS/c1-13-10-17(26-21(22-13)23-14(2)24-26)16-7-5-9-25(12-16)20(27)19-11-15-6-3-4-8-18(15)28-19/h10-11,16H,3-9,12H2,1-2H3
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| InChIKey |
FHNNVDXNLOGZGH-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