4-N-[2-[(E)-2-(4-Chlorophenyl)Ethenyl]Pyridin-4-Yl]-1-N,1-N-Diethylpentane-1,4-Diamine
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2001157 | |
| PubChem: | 5351244 | |
| IUPAC: | 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine | |
| Standard InChI: | InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+ | |
| Standard InChI Key: | FIDFDSHBKIWNIN-JLHYYAGUSA-N | |
| SMILES: | CCN(CCCC(N=c1cc[nH]c(c1)/C=C/c1ccc(cc1)Cl)C)CC | |
Molecular propeties
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| AlogP: | 5.83 | |
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| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 2 | |
| Molecular Weight: | 371.21 | |
| Topological polar surface area: | 28.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.409 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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