General Information of the Compound
| Compound ID |
CP0469982
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| Compound Name |
[(E)-benzylideneamino] N-(4-butoxyphenyl)carbamate
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| Synonyms |
Benzaldehyde O-4-butoxyphenylcarbamoyl oxime
CHEMBL598243
benzaldehyde O-4-butoxyphenylcarbamoyl oxime
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| Structure |
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| Formula |
C18H20N2O3
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| Molecular Weight |
312.369
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)O\N=C\c2ccccc2)cc1
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| InChI |
InChI=1S/C18H20N2O3/c1-2-3-13-22-17-11-9-16(10-12-17)20-18(21)23-19-14-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H,20,21)/b19-14+
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| InChIKey |
BRPRTDQSLVFYMR-XMHGGMMESA-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 ( Benzaldehyde O-4-butoxyphenylcarbamoyl oxime )
| Drug Name | Benzaldehyde O-4-butoxyphenylcarbamoyl oxime | ||
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