General Information of the Compound
| Compound ID |
CP0421091
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| Compound Name |
9-(5-cyclopropyl-1H-pyrazole-4-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 |
C23H26F3N5O4
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| Molecular Weight |
493.486
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1
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| InChI |
InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-5-3-16(4-6-17)28-21(33)31-11-12-34-22(14-31)7-9-30(10-8-22)20(32)18-13-27-29-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,27,29)(H,28,33)
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| InChIKey |
BRWHZLLOCHLOME-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