VUF5574   

GtoPdb Ligand ID: 3280

Synonyms: VUF 5574 | VUF-5574
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 89.03
Molecular weight 371.14
XLogP 2.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1
Isomeric SMILES COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1
InChI InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChI Key YRAFEJSZTVWUMD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(2-methoxyphenyl)-1-(2-pyridin-3-ylquinazolin-4-yl)urea
Synonyms
VUF 5574 | VUF-5574
Database Links
CAS Registry No. 280570-45-8 (source: Scifinder)
ChEMBL Ligand CHEMBL70880
GtoPdb PubChem SID 178100321
PubChem CID 4046493
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Tocris
VUF 5574
Cat. No. 1359