General Information of the Compound
| Compound ID |
CP0162116
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| Compound Name |
3-(2-((isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2-morpholinothiazol-4-yl)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C24H33N3O6S
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| Molecular Weight |
491.61
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| Canonical SMILES |
CC(C)OC(=O)NCc1cc(OCCc2nc(sc2C)N2CCOCC2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C24H33N3O6S/c1-16(2)33-24(30)25-15-19-14-20(6-4-18(19)5-7-22(28)29)32-11-8-21-17(3)34-23(26-21)27-9-12-31-13-10-27/h4,6,14,16H,5,7-13,15H2,1-3H3,(H,25,30)(H,28,29)
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| InChIKey |
IACIAFCVQNZHDL-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