Details of the Drug

General Information of Drug (ID: DM9K8HA)

Drug Name

1-Cyclohexyl-3-phenyl-urea

Synonyms

1-cyclohexyl-3-phenylurea; N-CYCLOHEXYL-N'-PHENYLUREA; CHEMBL365939; Urea, N-cyclohexyl-N'-phenyl-; 886-59-9; WPLYTRWMCWBZEN-UHFFFAOYSA-N; (cyclohexylamino)-N-benzamide; 1-Cyclohexyl-3-phenyl-urea; NSC80588; CBMicro_019203; 3-cyclohexyl-1-phenylurea; 1-phenyl-3-cyclohexylurea; Cambridge id 5353538; AC1Q5NF9; 1-cyclohexyl 3-phenyl urea; MLS000532450; SCHEMBL812273; N-Cyclohexyl-N'-phenylurea #; AC1L21R9; ZINC65313; MolPort-001-837-644; HMS3323I20; HMS2169M05; HMS1775L19; CCG-7124; NSC-80588; SBB056567; BDBM50167056; AKOS001021945

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)

218.29

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H18N2O
IUPAC Name: 1-cyclohexyl-3-phenylurea
Canonical SMILES: C1CCC(CC1)NC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKey: WPLYTRWMCWBZEN-UHFFFAOYSA-N