General Information of the Compound
| Compound ID |
CP0496636
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| Compound Name |
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-imidazol-2-ylsulfanyl)-pentyl]-urea
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| Structure |
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| Formula |
C22H32F2N4OS
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| Molecular Weight |
438.588
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1ncc[nH]1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C22H32F2N4OS/c1-2-3-4-5-7-14-28(15-8-6-9-16-30-21-25-12-13-26-21)22(29)27-20-11-10-18(23)17-19(20)24/h10-13,17H,2-9,14-16H2,1H3,(H,25,26)(H,27,29)
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| InChIKey |
NUSFKKQZDUTBOY-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