N',2-diphenylquinoline-4-carbohydrazide 8m   

GtoPdb Ligand ID: 2130

Synonyms: compound 8m [PMID:16950617] [1]
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 78.01
Molecular weight 569.28
XLogP 5.92
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1
Isomeric SMILES COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1
InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)
InChI Key KQNYTTDHCMFOME-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
Synonyms
compound 8m [PMID:16950617] [1]
Database Links
BindingDB Ligand 50194556
ChEMBL Ligand CHEMBL221445
GtoPdb PubChem SID 135650673
PubChem CID 11989776
Search Google for chemical match using the InChIKey KQNYTTDHCMFOME-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KQNYTTDHCMFOME
Search UniChem for chemical match using the InChIKey KQNYTTDHCMFOME-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KQNYTTDHCMFOME