General Information of the Compound
| Compound ID |
CP0425374
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| Compound Name |
(Z)-3-(4-tert-Butyl-phenyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-3-pyridin-4-yl-acrylamide
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=C\C(=O)Nc1ccc2OCCOc2c1)\c1ccncc1
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| InChI |
InChI=1S/C26H26N2O3/c1-26(2,3)20-6-4-18(5-7-20)22(19-10-12-27-13-11-19)17-25(29)28-21-8-9-23-24(16-21)31-15-14-30-23/h4-13,16-17H,14-15H2,1-3H3,(H,28,29)/b22-17-
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| InChIKey |
PBWNIFYOKBYLPY-XLNRJJMWSA-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