General Information of the Compound
| Compound ID |
CP0447697
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| Compound Name |
[(E)-pyridin-3-ylmethylideneamino] N-(4-butoxyphenyl)carbamate
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| Synonyms |
CHEMBL597445
Nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime
nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime
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| Structure |
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| Formula |
C17H19N3O3
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| Molecular Weight |
313.357
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)O\N=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C17H19N3O3/c1-2-3-11-22-16-8-6-15(7-9-16)20-17(21)23-19-13-14-5-4-10-18-12-14/h4-10,12-13H,2-3,11H2,1H3,(H,20,21)/b19-13+
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| InChIKey |
GPBQAYXYNOXDEZ-CPNJWEJPSA-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
Clinical Information about the Compound
Drug 1 ( Nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime )
| Drug Name | Nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime | ||
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