L023103   Click here for help

GtoPdb Ligand ID: 2194

Synonyms: L 023103 | L-023103
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 148.66
Molecular weight 624.19
XLogP 5.5
No. Lipinski's rules broken 3
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Canonical SMILES CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C
Isomeric SMILES CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C
InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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Compound class Synthetic organic
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L 023103 | L-023103
Database Links Click here for help
BindingDB Ligand 50178157
ChEMBL Ligand CHEMBL445816
GtoPdb PubChem SID 135650461
PubChem CID 6918778
Search Google for chemical match using the InChIKey BUKWNCANUKACAQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BUKWNCANUKACAQ
UniChem Compound Search for chemical match using the InChIKey BUKWNCANUKACAQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BUKWNCANUKACAQ-UHFFFAOYSA-N