Details of the Drug

General Information of Drug (ID: DM1VLMC)

Drug Name

1-(3-Chloro-phenyl)-3-cyclohexyl-urea

Synonyms

1-(3-chlorophenyl)-3-cyclohexylurea; CHEMBL192293; N-(3-chlorophenyl)-N'-cyclohexylurea; 72802-45-0; 1-(3-Chloro-phenyl)-3-cyclohexyl-urea; SMR000102236; AC1Q3IFF; AC1LFC0I; CBDivE_015961; MLS000105355; ARONIS24036; SCHEMBL12196175; REGID_for_CID_751320; DTXSID50353755; MolPort-001-819-362; ZINC201053; HMS2404F16; KS-000046HM; BDBM50167035; STK903181; 3-(3-chlorophenyl)-1-cyclohexylurea; AKOS002956586; MCULE-2109883694; 1-(3-chlorophenyl)-3-cyclohexyl-urea; KB-101580; ST45053223; N-(3-chlorophenyl)(cyclohexylamino)carboxamide

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)

252.74

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H17ClN2O
IUPAC Name: 1-(3-chlorophenyl)-3-cyclohexylurea
Canonical SMILES: C1CCC(CC1)NC(=O)NC2=CC(=CC=C2)Cl
InChI: InChI=1S/C13H17ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKey: WUPWWTKSYQSCFQ-UHFFFAOYSA-N