General Information of the Compound
| Compound ID |
CP0465388
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| Compound Name |
6-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]benzo[c][1]benzazepin-11-one
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| Structure |
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| Formula |
C25H16ClN3O4
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| Molecular Weight |
457.873
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(-c3nc4ccccc4c(=O)c4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C25H16ClN3O4/c1-32-15-10-12-16(13-11-15)33-23-20(26)14-27-29(25(23)31)24-18-7-3-2-6-17(18)22(30)19-8-4-5-9-21(19)28-24/h2-14H,1H3
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| InChIKey |
IRZYMVNNQZMLQQ-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