General Information of the Compound
| Compound ID |
CP0919008
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| Compound Name |
11H-dibenzo[b,e]azepine-10-carboxylic acid butyl ester hydrochloride
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| Structure |
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| Formula |
C19H20ClNO2
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| Molecular Weight |
329.827
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| Canonical SMILES |
CCCCOC(=O)c1cccc2c1Cc1ccccc1N=C2.Cl
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| InChI |
InChI=1S/C19H19NO2.ClH/c1-2-3-11-22-19(21)16-9-6-8-15-13-20-18-10-5-4-7-14(18)12-17(15)16;/h4-10,13H,2-3,11-12H2,1H3;1H
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| InChIKey |
GVMNJPGDNRZRMA-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