General Information of the Compound
| Compound ID |
CP0957547
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| Compound Name |
5-(6-(5-(6-fluorobenzo[d]oxazol-2-yl)-5-methyl-4,5-dihydroisoxazol-3-ylcarbamoyl)-2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinolin-3-yl)pentanoic acid
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| Structure |
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| Formula |
C32H26F2N4O6
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| Molecular Weight |
600.578
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| Canonical SMILES |
CC1(c2nc3ccc(F)cc3o2)CC(NC(=O)c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)cc3c2)=NO1
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| InChI |
InChI=1S/C32H26F2N4O6/c1-32(31-35-25-13-9-21(34)16-26(25)43-31)17-27(37-44-32)36-29(41)18-6-12-24-19(14-18)15-23(4-2-3-5-28(39)40)38(30(24)42)22-10-7-20(33)8-11-22/h6-16H,2-5,17H2,1H3,(H,39,40)(H,36,37,41)
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| InChIKey |
CYRBKPNZZYCDOH-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