General Information of the Compound
| Compound ID |
CP0431716
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| Compound Name |
9-(2-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C23H23ClF3N3O3
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| Molecular Weight |
481.902
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3Cl)C2)cc1
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| InChI |
InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-17-7-5-16(6-8-17)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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| InChIKey |
MLCJTDKCAGMUIX-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