General Information of the Compound
| Compound ID |
CP0431713
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| Compound Name |
9-(2-oxo-1,3-dihydroindole-5-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 |
C25H25F3N4O5
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| Molecular Weight |
518.492
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc4NC(=O)Cc4c3)C2)cc1
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| InChI |
InChI=1S/C25H25F3N4O5/c26-25(27,28)37-19-4-2-18(3-5-19)29-23(35)32-11-12-36-24(15-32)7-9-31(10-8-24)22(34)16-1-6-20-17(13-16)14-21(33)30-20/h1-6,13H,7-12,14-15H2,(H,29,35)(H,30,33)
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| InChIKey |
NJIGCMIZHUSYLF-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