General Information of the Compound
| Compound ID |
CP0379386
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| Compound Name |
11H-dibenzo[b,e]azepine-4-carboxylic acid methyl ester
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| Structure |
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| Formula |
C16H13NO2
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| Molecular Weight |
251.285
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| Canonical SMILES |
COC(=O)c1cccc2Cc3ccccc3C=Nc12
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| InChI |
InChI=1S/C16H13NO2/c1-19-16(18)14-8-4-7-12-9-11-5-2-3-6-13(11)10-17-15(12)14/h2-8,10H,9H2,1H3
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| InChIKey |
SLUQSPNCIOWBNO-UHFFFAOYSA-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