N-(3-Cyclopropyl-1h-Pyrazol-5-Yl)-2-[4-(Thiophen-2-Yl)phenyl]acetamide
AlkaPlorer ID: AK002068
Synonym: None
IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide
Structure
SMILES: C1CC1C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)C4=CC=CS4
InChI: InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
InChIKey: LQBKAYJFACGUCC-UHFFFAOYSA-N
Reference
PubChem CID: 5331007
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 323.421
TPSA？: 57.78
MolLogP？: 4.196800000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 121.0 | nM | 10.1021/jm031145u |
| Homo sapiens | Cyclin-dependent kinase 2/cyclin A | IC50 | 3.0 | nM | 10.1021/jm031145u |