General Information of the Compound
| Compound ID |
CP0954201
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-5-fluoro-1-methyl-1H-benzo[d]imidazole-6-sulfonamide
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| Structure |
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| Formula |
C21H16F3N3O3S
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| Molecular Weight |
447.438
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| Canonical SMILES |
Cn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(F)c(S(N)(=O)=O)cc21
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| InChI |
InChI=1S/C21H16F3N3O3S/c1-27-18-11-19(31(25,29)30)16(24)10-17(18)26-20(27)21(28,12-6-2-4-8-14(12)22)13-7-3-5-9-15(13)23/h2-11,28H,1H3,(H2,25,29,30)
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| InChIKey |
WVYNFQNTFXERSQ-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