General Information of the Compound
| Compound ID |
CP0964246
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-ethyl-5-fluoro-1H-benzo[d]imidazole-6-sulfonamide
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| Structure |
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| Formula |
C22H18F3N3O3S
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| Molecular Weight |
461.465
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| Canonical SMILES |
CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(F)c(S(N)(=O)=O)cc21
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| InChI |
InChI=1S/C22H18F3N3O3S/c1-2-28-19-12-20(32(26,30)31)17(25)11-18(19)27-21(28)22(29,13-7-3-5-9-15(13)23)14-8-4-6-10-16(14)24/h3-12,29H,2H2,1H3,(H2,26,30,31)
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| InChIKey |
KGTVOIQUTYFNMS-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