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| Ligand Name: 7-cyclohexyl-6-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB645 |
PubChem:
17968234
|
Synonym(s):
- chembl398718
- schembl4151123
- bdbm50223931
- 6-(4-(4-methylpiperazin-1-yl)benzyl)-7-cyclohexyl-7h-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- 7-cyclohexyl-6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- 7-cyclohexyl-6-[4-(4-methyl-piperazin-1-yl)-benzyl]-7h-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL398718 |
| Canonical SMILES: CN1CCN(CC1)c1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1 |
| Standard InChI: InChI=1S/C25H30N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15H2,1H3 |
| Molecular Formula: C25H30N6 |
Mol. Weight: 414.2532 |
logP: 4.15078 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 4 | TPSA: 60.98 |