General Information of the Compound
| Compound ID |
CP0448161
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-5-(difluoromethyl)-2-methyl-4-oxopyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H20F2N2O5S
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| Molecular Weight |
486.496
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(ccn(C(F)F)c2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H20F2N2O5S/c1-15-18(22-19(28(15)14-21(29)30)11-12-27(23(22)31)24(25)26)13-16-7-5-6-10-20(16)34(32,33)17-8-3-2-4-9-17/h2-12,24H,13-14H2,1H3,(H,29,30)
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| InChIKey |
XVYBPBSMWQYSDO-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