General Information of the Compound
| Compound ID |
CP0218649
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| Compound Name |
4-(4-methoxyphenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C16H15N3O2
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| Molecular Weight |
281.315
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C)[nH]n(-c2ccccn2)c1=O
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| InChI |
InChI=1S/C16H15N3O2/c1-11-15(12-6-8-13(21-2)9-7-12)16(20)19(18-11)14-5-3-4-10-17-14/h3-10,18H,1-2H3
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| InChIKey |
GJBVWWVTRUKBRZ-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