General Information of the Compound
| Compound ID |
CP0447666
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| Compound Name |
[(E)-pyridin-3-ylmethylideneamino] N-(4-octoxyphenyl)carbamate
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| Structure |
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| Formula |
C21H27N3O3
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| Molecular Weight |
369.465
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| Canonical SMILES |
CCCCCCCCOc1ccc(NC(=O)O\N=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C21H27N3O3/c1-2-3-4-5-6-7-15-26-20-12-10-19(11-13-20)24-21(25)27-23-17-18-9-8-14-22-16-18/h8-14,16-17H,2-7,15H2,1H3,(H,24,25)/b23-17+
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| InChIKey |
OVFNTSYUCWVKBI-HAVVHWLPSA-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