General Information of the Compound
| Compound ID |
CP0298089
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| Compound Name |
2-(4-fluorophenyl)-7-hydroxy-N-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]-1H-benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C29H25FN4O4S
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| Molecular Weight |
544.608
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H25FN4O4S/c1-18-2-12-23(13-3-18)39(37,38)34-22-10-4-19(5-11-22)16-17-31-29(36)24-14-15-25(35)27-26(24)32-28(33-27)20-6-8-21(30)9-7-20/h2-15,34-35H,16-17H2,1H3,(H,31,36)(H,32,33)
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| InChIKey |
KTMJNXVUTAIOBB-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