General Information of the Compound
| Compound ID |
CP0577266
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| Compound Name |
3-(2-chloroanilino)-4-[(8-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-7-yl)amino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C19H15ClN2O5S
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| Molecular Weight |
418.858
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| Canonical SMILES |
Oc1c(Nc2c(Nc3ccccc3Cl)c(=O)c2=O)ccc2CCCS(=O)(=O)c12
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| InChI |
InChI=1S/C19H15ClN2O5S/c20-11-5-1-2-6-12(11)21-14-15(18(25)17(14)24)22-13-8-7-10-4-3-9-28(26,27)19(10)16(13)23/h1-2,5-8,21-23H,3-4,9H2
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| InChIKey |
WBBHJDMIJDOJKY-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