General Information of the Compound
| Compound ID |
CP0433908
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| Compound Name |
5-chloro-2-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C24H15Cl2N3O4
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| Molecular Weight |
480.307
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C24H15Cl2N3O4/c1-31-15-7-9-16(10-8-15)32-22-18(26)13-27-29(24(22)30)23-17-4-2-3-5-20(17)33-21-11-6-14(25)12-19(21)28-23/h2-13H,1H3
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| InChIKey |
WLQUXUNSNCADRO-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