General Information of the Compound
| Compound ID |
CP0566670
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| Compound Name |
CHEMBL4206149
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| Formula |
C23H26F3N3O5
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| Molecular Weight |
481.471
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| Canonical SMILES |
OCCNC(=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/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)/t16-,19-
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| InChIKey |
MQKJJTNXRNCYQL-RUCARUNLSA-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