General Information of the Compound
| Compound ID |
CP0404815
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-acrylamide
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3CCC(=O)Nc3c2)cc1
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| InChI |
InChI=1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+
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| InChIKey |
GXCKOZLKUDPCKA-WUXMJOGZSA-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