General Information of the Compound
| Compound ID |
CP0567509
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| Compound Name |
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H21N5O4
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| Molecular Weight |
431.452
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| Canonical SMILES |
COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-n1cccn1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C23H21N5O4/c1-31-17-8-4-15(5-9-17)20(16-6-10-18(32-2)11-7-16)26-21(29)19-14-24-23(27-22(19)30)28-13-3-12-25-28/h3-14,20H,1-2H3,(H,26,29)(H,24,27,30)
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| InChIKey |
USZAFFTYZMCNKA-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