Gö 6976   

GtoPdb Ligand ID: 5973

Synonyms: Go 6976 | Go-6976 | Go6976 | Goe 6976
Compound class: Synthetic organic
Comment: This compound is an ATP competitive inhibitor of classical type PKC isoenzymes.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.75
Molecular weight 378.15
XLogP 4.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2
Isomeric SMILES N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2
InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
InChI Key VWVYILCFSYNJHF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile
Synonyms
Go 6976 | Go-6976 | Go6976 | Goe 6976
Database Links
CAS Registry No. 136194-77-9
ChEBI CHEBI:51913
ChEMBL Ligand CHEMBL302449
GtoPdb PubChem SID 178102596
PubChem CID 3501
RCSB PDB Ligand 85X
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Go 6976
Cat. No. 2253