General Information of the Compound
Compound ID
CP0020071
Compound Name
Urea
    Show/Hide
Synonyms
57-13-6
Alphadrate
Aqua Care
Aqua Care HP
Aquadrate
Calmurid
Carbaderm
Carbamide resin
Carbamimidic acid
Carbonyl Diamine
Carbonyl diamide
Carbonyldiamide
Carbonyldiamine
Caswell No. 902
Harnstoff
Harnstoff [Ge
Hyanit
Isourea
Keratinamin
Mocovina
Mocovina [Czech]
Nutraplus
Onychomal
Panafil
Pastaron
Polyurea
Prespersion, 75 urea
Pseudourea
Supercel 3000
Ultra Mide
Urea
Urea solution
Ureacin-10 lotion
Ureacin-20
Ureacin-40 Creme
Ureaphil
Ureophil
Urepearl
Urevert
Varioform ii
basodexan
carbamide
carmol
    Show/Hide
Structure
Formula
CH4N2O
Molecular Weight
60.056
Canonical SMILES
NC(N)=O
    Show/Hide
InChI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
    Show/Hide
InChIKey
XSQUKJJJFZCRTK-UHFFFAOYSA-N
CAS
4744-36-9
57-13-6
173144-80-4
173994-65-5
174693-33-5
175276-38-7
30535-50-3
37955-36-5
Physicochemical Property
logP
-0.9762
Rotatable Bonds
0
Heavy Atom Count
4
Polar Areas
69.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
4

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1176
SID: 15146258
ChEMBL ID
CHEMBL985
DrugBank ID
DB03904
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06470, Olfactory receptor 51E2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Urea )
Drug Name Urea
Indication
Dermatological disease
Approved