General Information of the Compound
| Compound ID |
CP0458740
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| Compound Name |
N-benzhydryl-6-chloro-1-oxidopyridin-1-ium-3-carboxamide
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| Structure |
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| Formula |
C19H15ClN2O2
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| Molecular Weight |
338.794
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| Canonical SMILES |
[O-][n+]1cc(ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C19H15ClN2O2/c20-17-12-11-16(13-22(17)24)19(23)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,21,23)
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| InChIKey |
RFKIYQPLNFZGKK-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