General Information of the Compound
| Compound ID |
CP0533291
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| Compound Name |
1-(1-acetylpiperidin-4-yl)-3-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)urea
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| Structure |
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| Formula |
C22H33N3O2
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| Molecular Weight |
371.525
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| Canonical SMILES |
CC(=O)N1CCC(CC1)NC(=O)NC12CC3C4CC5CC3C(C1)C(C5)C4C2
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| InChI |
InChI=1S/C22H33N3O2/c1-12(26)25-4-2-14(3-5-25)23-21(27)24-22-9-18-15-6-13-7-16(18)20(11-22)17(8-13)19(15)10-22/h13-20H,2-11H2,1H3,(H2,23,24,27)
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| InChIKey |
IRFTZECKQTUTIQ-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: PT01527, Bifunctional epoxide hydrolase 2
Protein ID: PT01103, Bifunctional epoxide hydrolase 2