General Information of the Compound
| Compound ID |
CP0421089
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| Compound Name |
9-[2-(2-methoxyphenyl)acetyl]-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C25H28F3N3O5
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| Molecular Weight |
507.509
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| Canonical SMILES |
COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H28F3N3O5/c1-34-21-5-3-2-4-18(21)16-22(32)30-12-10-24(11-13-30)17-31(14-15-35-24)23(33)29-19-6-8-20(9-7-19)36-25(26,27)28/h2-9H,10-17H2,1H3,(H,29,33)
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| InChIKey |
TYHOSHZJGVKBAJ-UHFFFAOYSA-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: PT01106, Bifunctional epoxide hydrolase 2