General Information of the Compound
| Compound ID |
CP0956863
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| Compound Name |
2-(2-bromo-4-hydroxy-5-(1-(2-(2-hydroxyethylamino)pyrimidin-5-yl)ethoxy)benzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C22H19BrN4O4S
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| Molecular Weight |
515.389
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| Canonical SMILES |
CC(Oc1cc(/C=C2\Sc3ncccc3C2=O)c(Br)cc1O)c1cnc(NCCO)nc1
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| InChI |
InChI=1S/C22H19BrN4O4S/c1-12(14-10-26-22(27-11-14)25-5-6-28)31-18-7-13(16(23)9-17(18)29)8-19-20(30)15-3-2-4-24-21(15)32-19/h2-4,7-12,28-29H,5-6H2,1H3,(H,25,26,27)/b19-8-
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| InChIKey |
WVQZGOAZKOKEDV-UWVJOHFNSA-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