General Information of the Compound
| Compound ID |
CP0501095
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| Compound Name |
3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-(2-pyridin-2-ylethyl)urea
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| Structure |
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| Formula |
C34H33F2N5OS
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| Molecular Weight |
597.735
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCc2ccccn2)c(F)c1
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| InChI |
InChI=1S/C34H33F2N5OS/c35-27-17-18-30(29(36)24-27)38-34(42)41(22-19-28-16-8-9-20-37-28)21-10-3-11-23-43-33-39-31(25-12-4-1-5-13-25)32(40-33)26-14-6-2-7-15-26/h1-2,4-9,12-18,20,24H,3,10-11,19,21-23H2,(H,38,42)(H,39,40)
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| InChIKey |
VEDSDJDRXDDWRW-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