 |
| Ligand Name: NVP-ABE854 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB945 |
PubChem:
5288616
|
Synonym(s):
- 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
- chembl363847
- 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-9h-purine-2-carbonitrile
- purine lead structure, 1
- schembl21067617
- bdbm19746
- db07965
- q27097195
- 6-(cyclohexylamino)-9-[2-(4-methyl-1-piperazinyl)ethyl]-9h-purine-2-carbonitrile
show 8 synonym(s)
|
| DrugBank: DB07965 |
ChEMBL: CHEMBL363847 |
| Canonical SMILES: CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1 |
| Standard InChI: InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24) |
| Molecular Formula: C19H28N8 |
Mol. Weight: 368.24368 |
logP: 1.68998 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 5 | TPSA: 85.9 |