General Information of the Compound
| Compound ID |
CP0429169
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| Compound Name |
1-Ethyl-9-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
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| InChI |
InChI=1S/C20H22N2O3/c1-3-15-16-14(11-8-12-21-19(16)23)17(20(24)25-4-2)18(22-15)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,23)
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| InChIKey |
ONAJUBPQCFFCLC-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