General Information of the Compound
| Compound ID |
CP0494814
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| Compound Name |
3-(2,4-difluorophenyl)-1-[5-[(5-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentyl]-1-hexylurea
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| Structure |
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| Formula |
C27H35F2N3O2S2
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| Molecular Weight |
535.726
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| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2cc(OCC)ccc2s1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H35F2N3O2S2/c1-3-5-6-8-15-32(26(33)30-23-13-11-20(28)18-22(23)29)16-9-7-10-17-35-27-31-24-19-21(34-4-2)12-14-25(24)36-27/h11-14,18-19H,3-10,15-17H2,1-2H3,(H,30,33)
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| InChIKey |
SXDACNCDZUVOFT-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