General Information of the Compound
| Compound ID |
CP0501838
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| Compound Name |
3-(2-(o-toluidino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C20H21N3O5S
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| Molecular Weight |
415.471
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| Canonical SMILES |
CN(C)S(=O)(=O)c1c(C)ccc(Nc2c(Nc3ccccc3C)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C20H21N3O5S/c1-11-7-5-6-8-13(11)21-15-16(19(26)18(15)25)22-14-10-9-12(2)20(17(14)24)29(27,28)23(3)4/h5-10,21-22,24H,1-4H3
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| InChIKey |
UNEPTEFKCJUBNI-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