General Information of the Compound
| Compound ID |
CP0126239
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| Compound Name |
2-[3-[3-[[2-(4-chlorophenyl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]propyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H22ClN3O5
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| Molecular Weight |
479.92
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| Canonical SMILES |
OC(=O)COc1cccc(CCCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C25H22ClN3O5/c26-17-8-6-16(7-9-17)24-28-22-19(10-11-20(30)23(22)29-24)25(33)27-12-2-4-15-3-1-5-18(13-15)34-14-21(31)32/h1,3,5-11,13,30H,2,4,12,14H2,(H,27,33)(H,28,29)(H,31,32)
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| InChIKey |
VBXXIIUXGXMRCJ-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