General Information of the Compound
| Compound ID |
CP0491961
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| Compound Name |
[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
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| Formula |
C21H24N4OS
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| Molecular Weight |
380.517
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| Canonical SMILES |
Cc1cc(C2CCCN(C2)C(=O)c2cc3CCCCc3s2)n2ccnc2n1
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| InChI |
InChI=1S/C21H24N4OS/c1-14-11-17(25-10-8-22-21(25)23-14)16-6-4-9-24(13-16)20(26)19-12-15-5-2-3-7-18(15)27-19/h8,10-12,16H,2-7,9,13H2,1H3
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| InChIKey |
GZMFAWQRCBOGKH-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