General Information of the Compound
| Compound ID |
CP0910630
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| Compound Name |
(RS)-[3-(1H-Pyrrolo[2,3-b]pyridin-4-yl)-1-piperidyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone
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| Formula |
C21H23N3OS
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| Molecular Weight |
365.502
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| Canonical SMILES |
O=C(c1cc2c(s1)CCCC2)N1CCCC(c2ccnc3[nH]ccc23)C1
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| InChI |
InChI=1S/C21H23N3OS/c25-21(19-12-14-4-1-2-6-18(14)26-19)24-11-3-5-15(13-24)16-7-9-22-20-17(16)8-10-23-20/h7-10,12,15H,1-6,11,13H2,(H,22,23)
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| InChIKey |
LEDMFKVVMMVZFP-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