General Information of the Compound
| Compound ID |
CP0077754
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| Compound Name |
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide
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| Structure |
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| Formula |
C24H23FN4O3S
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| Molecular Weight |
466.538
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
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| InChIKey |
ZQYBOOXPGDXABH-HNNXBMFYSA-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