General Information of the Compound
| Compound ID |
CP0893467
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| Compound Name |
N-Methyl-4-(4-(2-(2-pyridinyl)ethenyl)phenoxy)picolinamide
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1
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| InChI |
InChI=1S/C20H17N3O2/c1-21-20(24)19-14-18(11-13-23-19)25-17-9-6-15(7-10-17)5-8-16-4-2-3-12-22-16/h2-14H,1H3,(H,21,24)/b8-5+
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| InChIKey |
TWACWLUWRMKSAI-VMPITWQZSA-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