General Information of the Compound
| Compound ID |
CP0536726
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| Compound Name |
3-(4-((1-(4-(methylcarbamoyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C27H31F3N4O6
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| Molecular Weight |
564.561
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| Canonical SMILES |
CNC(=O)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C27H31F3N4O6/c1-31-24(37)18-6-10-21(11-7-18)34(26(39)33-20-8-12-22(13-9-20)40-27(28,29)30)16-17-2-4-19(5-3-17)25(38)32-15-14-23(35)36/h2-5,8-9,12-13,18,21H,6-7,10-11,14-16H2,1H3,(H,31,37)(H,32,38)(H,33,39)(H,35,36)
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| InChIKey |
VGVWVIZTNNCNOJ-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