HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 73776216Generated: October 30, 2026
(S)-N-(3-(4-Amino-6-((1-(5-methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidin-5-yl)-5-hydroxyphenyl)-4-hydroxybenzenesulfonamide
https://huagongshe.com/en/chemical/73776216
Identifiers & Physical Properties
| Molecular formula | C31H28N8O5S |
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| Average molar mass | 624.7 g/mol |
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| SMILES | Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cc(O)cc(NS(=O)(=O)c4ccc(O)cc4)c3)n(-c3ccccc3)c(=O)c12 |
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| InChIKey | RZONZMDGBQZQFB-IBGZPJMESA-N |
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| PubChem CID | 73776216 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 196 |
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| Hydrogen bond donors | 5 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 45 |
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| Formal charge | 0 |
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| Complexity | 1,170 |
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![(S)-N-(3-(4-Amino-6-((1-(5-methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidin-5-yl)-5-hydroxyphenyl)-4-hydroxybenzenesulfonamide molecular structure](/img/chemical/73776216.png)