Details of the Drug

General Information of Drug (ID: DMI4H05)

Drug Name

1,3-DIPHENYLUREA

Synonyms

1,3-Diphenylurea; 102-07-8; N,N'-Diphenylurea; CARBANILIDE; Diphenylurea; Diphenylcarbamide; Urea, N,N'-diphenyl-; s-Diphenylurea; sym-Diphenylurea; Acardite I; Acardite; N-Phenyl-N'-phenylurea; 1,3-Diphenylcarbamide; Karbanilid; N,N'-Difenylmocovina; USAF EK-534; Urea, 1,3-diphenyl-; Karbanilid [Czech]; 1,3-diphenyl-urea; AD 30; UNII-94YD8RMX5B; NSC 227401; N,N'-Difenylmocovina [Czech]; CCRIS 4634; HSDB 2757; Urea-based compound, 7; EINECS 203-003-7; BRN 0782650; 94YD8RMX5B; AI3-52320; CHEBI:41320; GWEHVDNNLFDJLR-UHFFFAOYSA-N

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.25

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H12N2O
IUPAC Name: 1,3-diphenylurea
Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey: GWEHVDNNLFDJLR-UHFFFAOYSA-N