BW 245C   Click here for help

GtoPdb Ligand ID: 1878

Synonyms: BW-245C | BW245C
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 106.94
Molecular weight 368.23
XLogP 2.81
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O
Isomeric SMILES OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O
InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)
InChI Key ZIDQIOZJEJFMOH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Synonyms Click here for help
BW-245C | BW245C
Database Links Click here for help
CAS Registry No. 75693-75-3
ChEMBL Ligand CHEMBL575504
GtoPdb PubChem SID 135650040
PubChem CID 119304
Search Google for chemical match using the InChIKey ZIDQIOZJEJFMOH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZIDQIOZJEJFMOH
UniChem Compound Search for chemical match using the InChIKey ZIDQIOZJEJFMOH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZIDQIOZJEJFMOH-UHFFFAOYSA-N