Gs-39783
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL392394 | |
| PubChem: | 6604928 | |
| IUPAC: | 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine | |
| Standard InChI: | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | |
| Standard InChI Key: | GSGVDKOCBKBMGG-UHFFFAOYSA-N | |
| SMILES: | CSc1nc(NC2CCCC2)c(c(=NC2CCCC2)[nH]1)N(=O)=O | |
Molecular propeties
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| AlogP: | 3.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 337.16 | |
| Topological polar surface area: | 121 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |