General Information of the Compound
| Compound ID |
CP0504830
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| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-(5-pyridin-2-ylsulfanylpentyl)urea
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| Structure |
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| Formula |
C24H33F2N3OS
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| Molecular Weight |
449.611
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1ccccn1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H33F2N3OS/c1-2-3-4-5-9-16-29(24(30)28-22-14-13-20(25)19-21(22)26)17-10-6-11-18-31-23-12-7-8-15-27-23/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,28,30)
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| InChIKey |
FRDGTVDCGBGDAS-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