General Information of the Compound
| Compound ID |
CP0563940
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| Compound Name |
6-oxo-N-(2-phenylpropan-2-yl)-2-pyrimidin-2-yl-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C18H17N5O2
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| Molecular Weight |
335.367
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| Canonical SMILES |
CC(C)(NC(=O)c1cnc(nc1O)-c1ncccn1)c1ccccc1
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| InChI |
InChI=1S/C18H17N5O2/c1-18(2,12-7-4-3-5-8-12)23-17(25)13-11-21-15(22-16(13)24)14-19-9-6-10-20-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
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| InChIKey |
HVVDMTUPTDEWPU-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