AFDX384   Click here for help

GtoPdb Ligand ID: 3264

Synonyms: AF-DX 384 | AFDX-384
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 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 86.26
Molecular weight 478.31
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC
Isomeric SMILES CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC
InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
InChI Key MZDYABXXPZNUCT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Synonyms Click here for help
AF-DX 384 | AFDX-384
Database Links Click here for help
CAS Registry No. 118290-27-0 (source: Scifinder)
ChEMBL Ligand CHEMBL279453
GtoPdb PubChem SID 178100307
PubChem CID 119357
Search Google for chemical match using the InChIKey MZDYABXXPZNUCT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MZDYABXXPZNUCT
Search UniChem for chemical match using the InChIKey MZDYABXXPZNUCT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MZDYABXXPZNUCT
Wikipedia AFDX-384

Product suppliers

View disclaimer

Tocris
AF-DX 384
Cat. No. 1345