General Information of the Compound
| Compound ID |
CP0542781
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| Compound Name |
2-[4-[3-(4-aminophenyl)-7-hydroxy-2-oxochromene-4-carbonyl]phenoxy]ethylsulfamic acid
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| Structure |
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| Formula |
C24H20N2O8S
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| Molecular Weight |
496.497
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| Canonical SMILES |
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O
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| InChI |
InChI=1S/C24H20N2O8S/c25-16-5-1-14(2-6-16)21-22(19-10-7-17(27)13-20(19)34-24(21)29)23(28)15-3-8-18(9-4-15)33-12-11-26-35(30,31)32/h1-10,13,26-27H,11-12,25H2,(H,30,31,32)
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| InChIKey |
PATAFNKRVMWVGP-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