General Information of the Compound
| Compound ID |
CP0421248
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(1,2,3,4-tetrahydro-quinolin-7-yl)-acrylamide
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| Structure |
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3CCCNc3c2)cc1
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| InChI |
InChI=1S/C22H26N2O/c1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19/h6-13,15,23H,4-5,14H2,1-3H3,(H,24,25)/b13-8+
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| InChIKey |
NIHRJDMPSWVCEM-MDWZMJQESA-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