General Information of the Compound
| Compound ID |
CP0463816
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| Compound Name |
CHEMBL4205926
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| Formula |
C22H23F3N2O5
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| Molecular Weight |
452.429
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| Canonical SMILES |
COC(=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/C22H23F3N2O5/c1-30-20(28)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)26-21(29)27-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,26,27,29)/t15-,18-
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| InChIKey |
ZMRQAODMZYVPQO-RZDIXWSQSA-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