General Information of the Compound
| Compound ID |
CP0546455
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| Compound Name |
2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxopyridazin-3-yl]methyl]-5,7-difluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H17F4N3O3
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| Molecular Weight |
459.399
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)cc(F)c2n1CC(O)=O
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| InChI |
InChI=1S/C23H17F4N3O3/c1-12-17(18-6-15(25)8-20(27)23(18)29(12)11-22(32)33)9-16-4-5-21(31)30(28-16)10-13-2-3-14(24)7-19(13)26/h2-8H,9-11H2,1H3,(H,32,33)
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| InChIKey |
OFAZJXQJYIIJHS-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