General Information of the Compound
| Compound ID |
CP0418629
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| Compound Name |
4-pyridinoxy-2-anilinopyridine-based compound, 14
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
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| InChI |
InChI=1S/C24H22N4O2/c1-16-14-22(24(27-17(16)2)21-6-4-5-12-25-21)30-20-11-13-26-23(15-20)28-18-7-9-19(29-3)10-8-18/h4-15H,1-3H3,(H,26,28)
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| InChIKey |
OTATXPKPKQJQIB-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