General Information of the Compound
| Compound ID |
CP0561732
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| Compound Name |
5-[2-(4-fluorophenyl)-6-[[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]carbamoyl]-1-oxoisoquinolin-3-yl]pentanoic acid
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| Structure |
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| Formula |
C30H24F2N4O5
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| Molecular Weight |
558.541
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| Canonical SMILES |
OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1noc(Cc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C30H24F2N4O5/c31-21-8-5-18(6-9-21)15-26-33-30(35-41-26)34-28(39)19-7-14-25-20(16-19)17-24(3-1-2-4-27(37)38)36(29(25)40)23-12-10-22(32)11-13-23/h5-14,16-17H,1-4,15H2,(H,37,38)(H,34,35,39)
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| InChIKey |
WHRRZXGUXYUDRA-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