General Information of the Compound
| Compound ID |
CP0444323
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| Compound Name |
CHEMBL4211405
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| Formula |
C21H23F3N2O4
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| Molecular Weight |
424.419
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| Canonical SMILES |
COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C21H23F3N2O4/c1-28-16-10-12-18(13-11-16)29-17-6-2-14(3-7-17)25-20(27)26-15-4-8-19(9-5-15)30-21(22,23)24/h4-5,8-14,17H,2-3,6-7H2,1H3,(H2,25,26,27)/t14-,17-
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| InChIKey |
KBLOYTAOLCDZTH-CZIWCDLHSA-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