General Information of the Compound
| Compound ID |
CP0565512
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| Compound Name |
6-chloro-3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-2-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
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| Structure |
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| Formula |
C19H18ClN3O6S
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| Molecular Weight |
451.888
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| Canonical SMILES |
COCCNS(=O)(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C19H18ClN3O6S/c1-29-10-9-21-30(27,28)19-12(20)7-8-13(16(19)24)23-15-14(17(25)18(15)26)22-11-5-3-2-4-6-11/h2-8,21-24H,9-10H2,1H3
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| InChIKey |
YFRWUYGCNCHTLG-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