General Information of the Compound
| Compound ID |
CP0399653
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| Compound Name |
2-[1-[4-[2-(4-chlorophenyl)ethylcarbamoyl]benzoyl]isoquinolin-4-yl]oxyacetic acid
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| Structure |
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| Formula |
C27H21ClN2O5
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| Molecular Weight |
488.927
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| Canonical SMILES |
OC(=O)COc1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H21ClN2O5/c28-20-11-5-17(6-12-20)13-14-29-27(34)19-9-7-18(8-10-19)26(33)25-22-4-2-1-3-21(22)23(15-30-25)35-16-24(31)32/h1-12,15H,13-14,16H2,(H,29,34)(H,31,32)
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| InChIKey |
AXMIILQUXGEXAG-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