General Information of the Compound
| Compound ID |
CP0911253
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| Compound Name |
5-(2-(4-fluorophenyl)-6-(5-(1-(4-fluorophenyl)ethyl)-1,2,4-oxadiazol-3-ylcarbamoyl)-1-oxo-1,2-dihydroisoquinolin-3-yl)pentanoic acid
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| Structure |
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| Formula |
C31H26F2N4O5
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| Molecular Weight |
572.568
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| Canonical SMILES |
CC(c1ccc(F)cc1)c1nc(NC(=O)c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)cc3c2)no1
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| InChI |
InChI=1S/C31H26F2N4O5/c1-18(19-6-9-22(32)10-7-19)29-35-31(36-42-29)34-28(40)20-8-15-26-21(16-20)17-25(4-2-3-5-27(38)39)37(30(26)41)24-13-11-23(33)12-14-24/h6-18H,2-5H2,1H3,(H,38,39)(H,34,36,40)
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| InChIKey |
UFYUNPYKVXIOAF-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