General Information of the Compound
| Compound ID |
CP0878736
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| Compound Name |
2-(2-bromo-4-hydroxy-5-(pyridin-3-ylmethoxy)benzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C20H13BrN2O3S
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| Molecular Weight |
441.306
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| Canonical SMILES |
O=C1/C(=C/c2cc(OCc3cccnc3)c(O)cc2Br)Sc2ncccc21
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| InChI |
InChI=1S/C20H13BrN2O3S/c21-15-9-16(24)17(26-11-12-3-1-5-22-10-12)7-13(15)8-18-19(25)14-4-2-6-23-20(14)27-18/h1-10,24H,11H2/b18-8-
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| InChIKey |
KLYXEGOSBCZUJM-LSCVHKIXSA-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