General Information of the Compound
| Compound ID |
CP0930607
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| Compound Name |
5-(6-(5-(4-fluorobenzyl)isoxazol-3-ylcarbamoyl)-2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinolin-3-yl)pentanoic acid
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| Structure |
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| Formula |
C31H25F2N3O5
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| Molecular Weight |
557.553
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| Canonical SMILES |
O=C(O)CCCCc1cc2cc(C(=O)Nc3cc(Cc4ccc(F)cc4)on3)ccc2c(=O)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H25F2N3O5/c32-22-8-5-19(6-9-22)15-26-18-28(35-41-26)34-30(39)20-7-14-27-21(16-20)17-25(3-1-2-4-29(37)38)36(31(27)40)24-12-10-23(33)11-13-24/h5-14,16-18H,1-4,15H2,(H,37,38)(H,34,35,39)
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| InChIKey |
HWAQJTNQFZBVBM-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