General Information of the Compound
| Compound ID |
CP0868889
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| Compound Name |
N-(2-morpholinophenyl)-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H22N6O3
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| Molecular Weight |
406.446
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCOCC1)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1
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| InChI |
InChI=1S/C21H22N6O3/c28-19(23-17-5-1-2-7-18(17)26-8-10-30-11-9-26)14-12-22-27(13-14)21-24-16-6-3-4-15(16)20(29)25-21/h1-2,5,7,12-13H,3-4,6,8-11H2,(H,23,28)(H,24,25,29)
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| InChIKey |
SYESRLROGWWHBF-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