General Information of the Compound
| Compound ID |
CP0554992
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| Compound Name |
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H16FN3O2S
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| Molecular Weight |
393.443
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| Canonical SMILES |
NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(F)cc3)nc2c1
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| InChI |
InChI=1S/C21H16FN3O2S/c22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h1-13H,(H,24,25)(H2,23,26,27)/b12-7+
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| InChIKey |
DUELRCOKXDCVQL-KPKJPENVSA-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