General Information of the Compound
| Compound ID |
CP0308316
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| Compound Name |
5-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-7-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
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| Structure |
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| Formula |
C20H15F2N3O4S
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| Molecular Weight |
431.42
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| Canonical SMILES |
Cc1[nH]c(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cn[nH]c(=O)c12
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| InChI |
InChI=1S/C20H15F2N3O4S/c1-10-18-14(9-23-25-20(18)26)19(24-10)13-8-12(30(2,27)28)4-6-16(13)29-17-5-3-11(21)7-15(17)22/h3-9,24H,1-2H3,(H,25,26)
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| InChIKey |
XXDVOJXVRUJACY-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