General Information of the Compound
| Compound ID |
CP0568329
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| Compound Name |
4-tert-butyl-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H25N5O2/c1-6-16-12-18(27)24-20(22-16)26-17(11-13(2)25-26)23-19(28)14-7-9-15(10-8-14)21(3,4)5/h7-12H,6H2,1-5H3,(H,23,28)(H,22,24,27)
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| InChIKey |
HBUQSHOFMKLNLN-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: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8