General Information of the Compound
| Compound ID |
CP0547165
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| Compound Name |
CHEMBL4209593
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| Formula |
C24H26F3N3O6
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| Molecular Weight |
509.481
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| Canonical SMILES |
COC(=O)CNC(=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/C24H26F3N3O6/c1-34-21(31)14-28-22(32)15-2-8-18(9-3-15)35-19-10-4-16(5-11-19)29-23(33)30-17-6-12-20(13-7-17)36-24(25,26)27/h2-3,6-9,12-13,16,19H,4-5,10-11,14H2,1H3,(H,28,32)(H2,29,30,33)/t16-,19-
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| InChIKey |
FCILROPLXCPNKY-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