General Information of the Compound
| Compound ID |
CP0557860
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| Compound Name |
CHEMBL4213817
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| Formula |
C24H27F3N2O5
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| Molecular Weight |
480.483
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C24H27F3N2O5/c1-15(2)32-22(30)16-3-9-19(10-4-16)33-20-11-5-17(6-12-20)28-23(31)29-18-7-13-21(14-8-18)34-24(25,26)27/h3-4,7-10,13-15,17,20H,5-6,11-12H2,1-2H3,(H2,28,29,31)/t17-,20-
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| InChIKey |
JACKMMBJJYJTEF-IRJFHVNHSA-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1