General Information of the Compound
| Compound ID |
CP0430058
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| Compound Name |
9-(4-cyanobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)C2)cc1
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| InChI |
InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-7-20(8-6-19)29-22(33)31-13-14-34-23(16-31)9-11-30(12-10-23)21(32)18-3-1-17(15-28)2-4-18/h1-8H,9-14,16H2,(H,29,33)
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| InChIKey |
JMTRLVFYHIGWKT-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