General Information of the Compound
| Compound ID |
CP0569461
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| Compound Name |
2-[3-(1-benzyl-6-oxopyridazin-3-yl)-5-fluoro-2-methyl-7-methylsulfonylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H20FN3O5S
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| Molecular Weight |
469.494
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| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)cc(c2n1CC(O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C23H20FN3O5S/c1-14-22(18-8-9-20(28)27(25-18)12-15-6-4-3-5-7-15)17-10-16(24)11-19(33(2,31)32)23(17)26(14)13-21(29)30/h3-11H,12-13H2,1-2H3,(H,29,30)
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| InChIKey |
LWBBPOHNDMJTFX-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