General Information of the Compound
| Compound ID |
CP0567508
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| Compound Name |
6-oxo-N-[(4-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C21H17N5O2
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| Molecular Weight |
371.4
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| Canonical SMILES |
Oc1nc(ncc1C(=O)NCc1ccc(cc1)-c1ccccc1)-n1cccn1
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| InChI |
InChI=1S/C21H17N5O2/c27-19(18-14-23-21(25-20(18)28)26-12-4-11-24-26)22-13-15-7-9-17(10-8-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,22,27)(H,23,25,28)
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| InChIKey |
QAKRFBVXEOZHSZ-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