General Information of the Compound
| Compound ID |
CP0442613
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| Compound Name |
methanesulfonamido 2-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxopyridin-3-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
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| Structure |
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| Formula |
C25H22F3N3O5S
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| Molecular Weight |
533.528
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3F)c2)c2cc(F)ccc2n1CC(=O)ONS(C)(=O)=O
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| InChI |
InChI=1S/C25H22F3N3O5S/c1-15-19(10-16-6-9-23(32)30(12-16)13-17-4-3-5-21(27)25(17)28)20-11-18(26)7-8-22(20)31(15)14-24(33)36-29-37(2,34)35/h3-9,11-12,29H,10,13-14H2,1-2H3
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| InChIKey |
HTYAPKFZNZWULL-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