PF-06454589   Click here for help

GtoPdb Ligand ID: 8295

Synonyms: compound 28 [PMID: 25353650]
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 71.86
Molecular weight 284.14
XLogP 1.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1
Isomeric SMILES Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1
InChI InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)
InChI Key VNWKCLDQBNSJJO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Synonyms Click here for help
compound 28 [PMID: 25353650]
Database Links Click here for help
GtoPdb PubChem SID 252166507
PubChem CID 72706837
RCSB PDB Ligand 3JA
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SynPHARM 81932 (in complex with leucine rich repeat kinase 2)