guanylpirenzepine   Click here for help

GtoPdb Ligand ID: 3276

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 7
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 124.1
Molecular weight 379.18
XLogP 1.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
Isomeric SMILES NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
InChI InChI=1S/C19H21N7O2/c20-19(21)25-10-8-24(9-11-25)12-16(27)26-15-6-2-1-4-13(15)18(28)23-14-5-3-7-22-17(14)26/h1-7H,8-12H2,(H3,20,21)(H,23,28)
InChI Key YGBQWISDDSXPRF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide
Database Links Click here for help
CAS Registry No. 700342-20-7 (source: Scifinder)
GtoPdb PubChem SID 178100317
PubChem CID 129786
Search Google for chemical match using the InChIKey YGBQWISDDSXPRF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YGBQWISDDSXPRF
Search UniChem for chemical match using the InChIKey YGBQWISDDSXPRF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YGBQWISDDSXPRF