General Information of the Compound
| Compound ID |
CP0447698
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| Compound Name |
[(E)-pyridin-3-ylmethylideneamino] N-(4-heptoxyphenyl)carbamate
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| Structure |
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| Formula |
C20H25N3O3
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| Molecular Weight |
355.438
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| Canonical SMILES |
CCCCCCCOc1ccc(NC(=O)O\N=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C20H25N3O3/c1-2-3-4-5-6-14-25-19-11-9-18(10-12-19)23-20(24)26-22-16-17-8-7-13-21-15-17/h7-13,15-16H,2-6,14H2,1H3,(H,23,24)/b22-16+
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| InChIKey |
RARKABVOBNIVAR-CJLVFECKSA-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