Basic information
- Standard SMILES
Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cc(O)cc(NS(=O)(=O)c4ccc(O)cc4)c3)n(-c3ccccc3)c(=O)c12- InChIKey
RZONZMDGBQZQFB-IBGZPJMESA-N- Molecular formula
- C31H28N8O5S
- Average molar mass
- 624.7 g/mol
Names & identifiers
- Preferred name
- (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
- IUPAC
- N-[3-[4-amino-6-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidin-5-yl]-5-hydroxyphenyl]-4-hydroxybenzenesulfonamide
Names & synonyms
SCHEMBL17160431RZONZMDGBQZQFB-IBGZPJMESA-N(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
Database identifiers
- PubChem CID
- 73776216
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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