General Information of the Compound
| Compound ID |
CP0514076
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| Compound Name |
2-benzo[b][1,4]benzothiazepin-6-yl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C24H16ClN3O3S
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| Molecular Weight |
461.93
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C3=Nc4ccccc4Sc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C24H16ClN3O3S/c1-30-15-10-12-16(13-11-15)31-22-18(25)14-26-28(24(22)29)23-17-6-2-4-8-20(17)32-21-9-5-3-7-19(21)27-23/h2-14H,1H3
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| InChIKey |
YAARXWMDZLGFCS-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