General Information of the Compound
| Compound ID |
CP0036110
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| Compound Name |
US10383835, Compound 1153
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| Synonyms |
1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea
1-(Adamantane-1-yl)-3-(1-acetylpiperidine-4-yl)urea
1-(adamant-1-yl)-3-(1-acetylpiperidin-4-yl) urea
1-[(1-Acetylpiperidin-4-yl)-3-adamantan-1-yl]urea
4HA03Q8EZ9
913548-29-5
AKOS030231617
AR-9281
AR9281
Apau (enzyme inhibitor)
Ar9281
BDBM100423
BDBM50191854
CHEMBL436774
HUDQLWBKJOMXSZ-UHFFFAOYSA-N
J3137087F
MolPort-023-222-910
N-(1-Acetylpiperidin-4-yl)-N'-(adamant-1-yl) urea
N-(1-acetylpiperidin-4-yl)-N'-(adamant-1-yl)urea
SCHEMBL18464997
SCHEMBL654229
UNII-4HA03Q8EZ9
US8501783, 1153
ZINC36330562
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| Structure |
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| Formula |
C18H29N3O2
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| Molecular Weight |
319.449
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| Canonical SMILES |
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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| InChIKey |
HUDQLWBKJOMXSZ-UHFFFAOYSA-N
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| CAS |
913548-29-5
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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
Clinical Information about the Compound