Details of the Drug

General Information of Drug (ID: DMH9O6V)

Drug Name

1-Cyclohexyl-3-phenethyl-urea

Synonyms

N-cyclohexyl-N'-(2-phenylethyl)urea; 1-cyclohexyl-3-phenethylurea; CHEMBL193888; MLS000061067; 1-Cyclohexyl-3-phenethyl-urea; AC1LEVP0; AC1Q5P4E; Cambridge id 5402894; Oprea1_499442; SCHEMBL12196137; CHEBI:108334; MolPort-001-839-964; ZINC182146; HMS2444C08; HMS1582O21; 1-cyclohexyl-3-(2-phenylethyl)urea; 3-cyclohexyl-1-(2-phenylethyl)urea; BDBM50167058; AKOS001026537; MCULE-2992993146; SMR000069580; US8815951, 36; AB00084095-01; Z44585920

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

246.35

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H22N2O
IUPAC Name: 1-cyclohexyl-3-(2-phenylethyl)urea
Canonical SMILES: C1CCC(CC1)NC(=O)NCCC2=CC=CC=C2
InChI: InChI=1S/C15H22N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,16,17,18)
InChIKey: YJAMPQZPTKVFIU-UHFFFAOYSA-N