General Information of the Compound
| Compound ID |
CP0954376
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| Compound Name |
2-((3-fluoropyridin-2-yl)(hydroxy)(phenyl)methyl)-1-methyl-1H-benzo[d]imidazole-6-sulfonamide
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| Structure |
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| Formula |
C20H17FN4O3S
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| Molecular Weight |
412.446
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| Canonical SMILES |
Cn1c(C(O)(c2ccccc2)c2ncccc2F)nc2ccc(S(N)(=O)=O)cc21
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| InChI |
InChI=1S/C20H17FN4O3S/c1-25-17-12-14(29(22,27)28)9-10-16(17)24-19(25)20(26,13-6-3-2-4-7-13)18-15(21)8-5-11-23-18/h2-12,26H,1H3,(H2,22,27,28)
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| InChIKey |
ABAWIALWIJMLDY-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