General Information of the Compound
| Compound ID |
CP0434067
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| Compound Name |
3-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-5-(methanesulfonamido)benzoic acid
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| Structure |
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| Formula |
C26H22ClFN2O5S
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| Molecular Weight |
528.989
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1-c1cc(NS(C)(=O)=O)cc(c1)C(O)=O
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| InChI |
InChI=1S/C26H22ClFN2O5S/c1-16-3-9-24(30(16)22-12-18(26(31)32)11-21(14-22)29-36(2,33)34)23-13-19(27)6-10-25(23)35-15-17-4-7-20(28)8-5-17/h3-14,29H,15H2,1-2H3,(H,31,32)
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| InChIKey |
SBBIXBBFHMBMEH-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