General Information of the Compound
| Compound ID |
CP0421093
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| Compound Name |
9-(2,2-dimethylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C21H28F3N3O3
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| Molecular Weight |
427.467
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H28F3N3O3/c1-19(2,3)17(28)26-10-8-20(9-11-26)14-27(12-13-30-20)18(29)25-16-6-4-15(5-7-16)21(22,23)24/h4-7H,8-14H2,1-3H3,(H,25,29)
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| InChIKey |
QREFQTAYYYVYBN-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