General Information of the Compound
| Compound ID |
CP0948986
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| Compound Name |
5-(6-(5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-ylcarbamoyl)-2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinolin-3-yl)pentanoic acid
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| Structure |
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| Formula |
C32H27FN4O5
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| Molecular Weight |
566.589
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| Canonical SMILES |
O=C(O)CCCCc1cc2cc(C(=O)Nc3noc(C4Cc5ccccc5C4)n3)ccc2c(=O)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H27FN4O5/c33-24-10-12-25(13-11-24)37-26(7-3-4-8-28(38)39)18-22-17-21(9-14-27(22)31(37)41)29(40)34-32-35-30(42-36-32)23-15-19-5-1-2-6-20(19)16-23/h1-2,5-6,9-14,17-18,23H,3-4,7-8,15-16H2,(H,38,39)(H,34,36,40)
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| InChIKey |
ZUQZEPIKUSCYHR-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