Example 25 [WO2021087136A1]
[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid
Molecular Identity
Example 25 [WO2021087136A1]
[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid
PubChem CID: 156311996
2D Structure
Properties
C20H29ClN9O9P
Molecular Formula
605.90
Molecular Weight
g/mol
605.1514
Exact Mass
Da
-2.5
XLogP
Drug-like (Lipinski: < 5)
256
TPSA
May have limited oral absorption
7
H-Bond Donors
16
H-Bond Acceptors
894
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)C4C(C(C(O4)COC(CO)(COCC5=NNN=N5)P(=O)(O)O)O)OIsomeric SMILES
SMILES: C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[C@](CO)(COCC5=NNN=N5)P(=O)(O)O)O)OSynonyms(13)
ORIC-5332641306-62-7A1JCH7R3R8M6TAVORIC533ORIC-533 FREE BASEorb2565612SCHEMBL23294990GTPL13294EX-A8749Example 25 [WO2021087136A1]T87072[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Example 25 [WO2021087136A1]
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