Basic information
- Standard SMILES
CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(N5CC[C@@H](NC(=O)Nc6cccnc6)C5)nc43)[C@H](O)[C@@H]2O)n1- InChIKey
OGDPDPPTSRZGMG-ROFRAUCQSA-N- Molecular formula
- C37H41N13O5
- Average molar mass
- 747.8 g/mol
Names & identifiers
- Preferred name
- 1-((R)-1-{6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-yl-urea
- IUPAC
- 1-[(3R)-1-[6-[2,2-bis(4-hydroxyphenyl)ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-3-ylurea
Names & synonyms
SCHEMBL590748OGDPDPPTSRZGMG-ROFRAUCQSA-N1-((R)-1-{6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-yl-urea
Database identifiers
- PubChem CID
- 66736752
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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