General Information of the Compound
| Compound ID |
CP0404757
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| Compound Name |
3-(2,4-difluorophenyl)-1-hexyl-1-[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)pentyl]urea
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| Structure |
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| Formula |
C24H31F2N5OS
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| Molecular Weight |
475.609
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| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H31F2N5OS/c1-2-3-4-6-14-31(24(32)29-20-12-11-18(25)17-19(20)26)15-7-5-8-16-33-23-28-21-10-9-13-27-22(21)30-23/h9-13,17H,2-8,14-16H2,1H3,(H,29,32)(H,27,28,30)
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| InChIKey |
XDGMBZQUKXURHR-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