ZK93426   Click here for help

GtoPdb Ligand ID: 4347

Synonyms: ZK 93426 | ZK-93426
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 64.21
Molecular weight 312.15
XLogP 3.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C
Isomeric SMILES CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C
InChI InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3
InChI Key VMDUABMKBUKKPG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 4-methyl-5-(propan-2-yloxy)-9H-pyrido[3,4-b]indole-3-carboxylate
Synonyms Click here for help
ZK 93426 | ZK-93426
Database Links Click here for help
CAS Registry No. 89592-45-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1271047
GtoPdb PubChem SID 178101164
PubChem CID 115210
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Wikipedia ZK-93426