ZK93423   

GtoPdb Ligand ID: 4346

Synonyms: ZK 93423 | ZK-93423
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 73.44
Molecular weight 390.16
XLogP 4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC
Isomeric SMILES COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC
InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
InChI Key ALBKMJDFBZVHAK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
ethyl 6-(benzyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Synonyms
ZK 93423 | ZK-93423
Database Links
CAS Registry No. 83910-44-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1518572
GtoPdb PubChem SID 178101163
PubChem CID 121926
Search Google for chemical match using the InChIKey ALBKMJDFBZVHAK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALBKMJDFBZVHAK
Search UniChem for chemical match using the InChIKey ALBKMJDFBZVHAK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ALBKMJDFBZVHAK
Wikipedia ZK-93423