General Information of the Compound
| Compound ID |
CP0574273
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| Compound Name |
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-phenylbenzamide
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| Structure |
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| Formula |
C23H21N5O2
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| Molecular Weight |
399.454
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| Canonical SMILES |
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C23H21N5O2/c1-3-19-14-21(29)26-23(24-19)28-20(12-15(2)27-28)25-22(30)18-11-7-10-17(13-18)16-8-5-4-6-9-16/h4-14H,3H2,1-2H3,(H,25,30)(H,24,26,29)
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| InChIKey |
AXMYVKWQCWGHAI-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