General Information of the Compound
| Compound ID |
CP0453418
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-(2,4-difluorophenyl)-1-(2-pyridin-2-ylethyl)urea
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| Structure |
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| Formula |
C36H37F2N5O3S
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| Molecular Weight |
657.787
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C36H37F2N5O3S/c1-45-29-14-9-25(10-15-29)33-34(26-11-16-30(46-2)17-12-26)42-35(41-33)47-23-7-3-6-21-43(22-19-28-8-4-5-20-39-28)36(44)40-32-18-13-27(37)24-31(32)38/h4-5,8-18,20,24H,3,6-7,19,21-23H2,1-2H3,(H,40,44)(H,41,42)
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| InChIKey |
BEAJAVXELBZRTF-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