General Information of the Compound
| Compound ID |
CP0038742
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| Compound Name |
1-(3,4-Dihydroxy-phenyl)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-ylsulfanyl)-ethanone
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| Structure |
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| Formula |
C22H19N3O3S
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| Molecular Weight |
405.479
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| Canonical SMILES |
Cc1nn2c(SCC(=O)c3ccc(O)c(O)c3)cc(C)nc2c1-c1ccccc1
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| InChI |
InChI=1S/C22H19N3O3S/c1-13-10-20(29-12-19(28)16-8-9-17(26)18(27)11-16)25-22(23-13)21(14(2)24-25)15-6-4-3-5-7-15/h3-11,26-27H,12H2,1-2H3
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| InChIKey |
HCUVOVMXCRQQCR-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00212, Phosphodiesterase