General Information of the Compound
| Compound ID |
CP0507961
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| Compound Name |
N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C26H27N3O2S
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| Molecular Weight |
445.588
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\c2nc3cc(ccc3[nH]2)-c2ccccc2NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C26H27N3O2S/c1-26(2,3)20-13-9-18(10-14-20)11-16-25-27-23-15-12-19(17-24(23)28-25)21-7-5-6-8-22(21)29-32(4,30)31/h5-17,29H,1-4H3,(H,27,28)/b16-11+
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| InChIKey |
PEYYAOOSJPQYED-LFIBNONCSA-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