General Information of the Compound
| Compound ID |
CP0422062
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| Compound Name |
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
CCCCCCOc1ccc(NC(=O)O\N=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C19H23N3O3/c1-2-3-4-5-13-24-18-10-8-17(9-11-18)22-19(23)25-21-15-16-7-6-12-20-14-16/h6-12,14-15H,2-5,13H2,1H3,(H,22,23)/b21-15+
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| InChIKey |
RMVXLSAGDWMXBQ-RCCKNPSSSA-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