General Information of the Compound
| Compound ID |
CP0439868
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| Compound Name |
9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C21H23F3N4O5
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| Molecular Weight |
468.432
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| Canonical SMILES |
Cc1cc(no1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
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| InChIKey |
XZXHOWLLQMKXJY-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