General Information of the Compound
| Compound ID |
CP0535021
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| Compound Name |
[3-[5-(difluoromethyl)-[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 |
C20H21F2N5OS
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| Molecular Weight |
417.485
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| Canonical SMILES |
FC(F)c1cc(C2CCCN(C2)C(=O)c2cc3CCCCc3s2)n2ncnc2n1
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| InChI |
InChI=1S/C20H21F2N5OS/c21-18(22)14-9-15(27-20(25-14)23-11-24-27)13-5-3-7-26(10-13)19(28)17-8-12-4-1-2-6-16(12)29-17/h8-9,11,13,18H,1-7,10H2
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| InChIKey |
KRGPRRIGJIXIIC-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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
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
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
Protein ID: PT03254, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A