General Information of the Compound
| Compound ID |
CP0554090
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| Compound Name |
1-[5-(1,3-benzothiazol-2-ylsulfanyl)pentyl]-3-(2,4-difluorophenyl)-1-hexylurea
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| Structure |
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| Formula |
C25H31F2N3OS2
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| Molecular Weight |
491.673
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| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C25H31F2N3OS2/c1-2-3-4-8-15-30(24(31)28-21-14-13-19(26)18-20(21)27)16-9-5-10-17-32-25-29-22-11-6-7-12-23(22)33-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,31)
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| InChIKey |
HDJAQQYGAQVFAQ-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