General Information of the Compound
| Compound ID |
CP0511754
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| Compound Name |
1-[6-oxo-5-(2-phenylpropan-2-ylcarbamoyl)-1H-pyrimidin-2-yl]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C18H17N5O4
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| Molecular Weight |
367.365
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| Canonical SMILES |
CC(C)(NC(=O)c1cnc(nc1O)-n1cc(cn1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C18H17N5O4/c1-18(2,12-6-4-3-5-7-12)22-15(25)13-9-19-17(21-14(13)24)23-10-11(8-20-23)16(26)27/h3-10H,1-2H3,(H,22,25)(H,26,27)(H,19,21,24)
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| InChIKey |
BYHYQAIXYZMSSB-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