General Information of the Compound
| Compound ID |
CP0484238
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| Compound Name |
[3-[5-methyl-2-(trifluoromethyl)-[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 |
C21H22F3N5OS
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| Molecular Weight |
449.502
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| Canonical SMILES |
Cc1cc(C2CCCN(C2)C(=O)c2cc3CCCCc3s2)n2nc(nc2n1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N5OS/c1-12-9-15(29-20(25-12)26-19(27-29)21(22,23)24)14-6-4-8-28(11-14)18(30)17-10-13-5-2-3-7-16(13)31-17/h9-10,14H,2-8,11H2,1H3
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| InChIKey |
AKRUQABJYHDWTQ-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