General Information of the Compound
| Compound ID |
CP0422179
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| Compound Name |
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
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| Structure |
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| Formula |
C35H42F2N4OS
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| Molecular Weight |
604.811
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C35H42F2N4OS/c1-3-4-5-6-14-23-41(34(42)38-31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-35-39-32(27-17-10-7-11-18-27)33(40(35)2)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,3-6,9,14-16,23-25H2,1-2H3,(H,38,42)
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| InChIKey |
JBOMVLKBIPTCLP-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