Evodenoson
methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate
Molecular Identity
Evodenoson
methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate
PubChem CID: 11627443
2D Structure
Properties
C23H29N7O6
Molecular Formula
499.50
Molecular Weight
g/mol
499.2179
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
178
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
898
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)C(=O)NC5CC5)O)O)NIsomeric SMILES
SMILES: COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC5CC5)O)O)NSynonyms(20)
EVODENOSON844873-47-8ATL-313ATL313DE-112ATL 313HZ03U10J2Zmethyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylateDTXSID40233476evodenosonummethyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)piperidine-1-carboxylatemethyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)purin-2-yl)prop-2-ynyl)piperidine-1-carboxylatemethyl 4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}prop-2-yn-1-yl)piperidine-1-carboxylateRefChem:139676Atl313, de-112
Data from PubChem (NCBI)
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