BW B70C   Click here for help

GtoPdb Ligand ID: 11393

Synonyms: BW-B70C | BWB-70C | BWB70C
Compound class: Synthetic organic
Comment: BW B70C is a 5-lipoxygenase (5-LOX) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 75.79
Molecular weight 316.12
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C
Isomeric SMILES Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C
InChI InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+
InChI Key UAIYNMRLUHHRMF-AATRIKPKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
Synonyms Click here for help
BW-B70C | BWB-70C | BWB70C
Database Links Click here for help
BindingDB Ligand 50281096
CAS Registry No. 134470-38-5 (source: PubChem)
ChEMBL Ligand CHEMBL86676
GtoPdb PubChem SID 440816762
PubChem CID 5353454
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