General Information of the Compound
| Compound ID |
CP0434199
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| Compound Name |
9-(2-acetamidobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O4
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| Molecular Weight |
504.509
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| Canonical SMILES |
CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N4O4/c1-17(33)29-21-5-3-2-4-20(21)22(34)31-12-10-24(11-13-31)16-32(14-15-36-24)23(35)30-19-8-6-18(7-9-19)25(26,27)28/h2-9H,10-16H2,1H3,(H,29,33)(H,30,35)
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| InChIKey |
FSNRSDABTWWVIP-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