General Information of the Compound
| Compound ID |
CP0468613
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| Compound Name |
4-((4-chloro-N-(2-fluorobenzyl)phenylsulfonamido)methyl)-2-fluorobenzoic acid
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| Structure |
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| Formula |
C21H16ClF2NO4S
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| Molecular Weight |
451.878
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| Canonical SMILES |
OC(=O)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C21H16ClF2NO4S/c22-16-6-8-17(9-7-16)30(28,29)25(13-15-3-1-2-4-19(15)23)12-14-5-10-18(21(26)27)20(24)11-14/h1-11H,12-13H2,(H,26,27)
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| InChIKey |
JBVMQZCGULWRJH-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