General Information of the Compound
| Compound ID |
CP0542604
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| Compound Name |
[3-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
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| Formula |
C21H22F2N4OS
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| Molecular Weight |
416.497
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| Canonical SMILES |
FC(F)c1cc(C2CCCN(C2)C(=O)c2cc3CCCCc3s2)n2nccc2n1
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| InChI |
InChI=1S/C21H22F2N4OS/c22-20(23)15-11-16(27-19(25-15)7-8-24-27)14-5-3-9-26(12-14)21(28)18-10-13-4-1-2-6-17(13)29-18/h7-8,10-11,14,20H,1-6,9,12H2
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| InChIKey |
NQOBCGNEXNXNCO-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