General Information of the Compound
| Compound ID |
CP0248111
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| Compound Name |
2-(1H-benzimidazol-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C17H14N4O
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| Molecular Weight |
290.326
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| Canonical SMILES |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C17H14N4O/c1-11-15(12-7-3-2-4-8-12)16(22)21(20-11)17-18-13-9-5-6-10-14(13)19-17/h2-10,20H,1H3,(H,18,19)
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| InChIKey |
YNQAUNMBAVKOIN-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