General Information of the Compound
| Compound ID |
CP0454963
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| Compound Name |
5-chloro-2-(8-chloropyrido[2,3-b][1,5]benzoxazepin-5-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C23H14Cl2N4O4
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| Molecular Weight |
481.295
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ncccc34)c2=O)cc1
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| InChI |
InChI=1S/C23H14Cl2N4O4/c1-31-14-5-7-15(8-6-14)32-20-17(25)12-27-29(23(20)30)21-16-3-2-10-26-22(16)33-19-9-4-13(24)11-18(19)28-21/h2-12H,1H3
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| InChIKey |
ITIHNZAIVSYCNW-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