General Information of the Compound
| Compound ID |
CP0236431
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| Compound Name |
11H-Dibenzo[b,e]-azepine-10-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)c1cccc2C=Nc3ccccc3Cc12
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| InChI |
InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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| InChIKey |
RNCCOSMXJQOWRS-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1