PK 11195   

GtoPdb Ligand ID: 8703

Synonyms: PK-11195 | PK11195
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 33.2
Molecular weight 352.13
XLogP 5.56
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C
Isomeric SMILES CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C
InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
InChI Key RAVIZVQZGXBOQO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
Synonyms
PK-11195 | PK11195
Database Links
CAS Registry No. 85532-75-8 (source: Scifinder)
ChEBI CHEBI:73290
ChEMBL Ligand CHEMBL481537
GtoPdb PubChem SID 252166903
PubChem CID 1345
Search Google for chemical match using the InChIKey RAVIZVQZGXBOQO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RAVIZVQZGXBOQO
Search UniChem for chemical match using the InChIKey RAVIZVQZGXBOQO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RAVIZVQZGXBOQO
Wikipedia PK-11195

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Tocris
PK 11195
Cat. No. 0670