General Information of the Compound
| Compound ID |
CP0025216
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| Compound Name |
N-(2-amino-5-fluorophenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide
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| Formula |
C28H26FN3O4S
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| Molecular Weight |
519.598
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N
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| InChI |
InChI=1S/C28H26FN3O4S/c1-36-23-13-15-24(16-14-23)37(34,35)32-26-5-3-2-4-20(26)9-6-19-7-10-21(11-8-19)28(33)31-27-18-22(29)12-17-25(27)30/h2-5,7-8,10-18,32H,6,9,30H2,1H3,(H,31,33)
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| InChIKey |
LALIDTGFQVACFX-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