General Information of the Compound
| Compound ID |
CP0388602
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| Compound Name |
11H-dibenzo[b,e]azepine-8-carboxylic acid isopropyl ester
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| Structure |
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
CC(C)OC(=O)c1ccc2Cc3ccccc3N=Cc2c1
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| InChI |
InChI=1S/C18H17NO2/c1-12(2)21-18(20)15-8-7-13-9-14-5-3-4-6-17(14)19-11-16(13)10-15/h3-8,10-12H,9H2,1-2H3
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| InChIKey |
UEPSNNTWMCXJDD-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