Molecules/(5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid
(5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid
(2S)-2-[[5-[[2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-fluoropyridine-2-carbonyl]amino]pentanedioic acid
Molecular Identity
(5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid
(2S)-2-[[5-[[2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-fluoropyridine-2-carbonyl]amino]pentanedioic acid
PubChem CID: 146197187
2D Structure
Properties
C17H18FN7O7
Molecular Formula
451.40
Molecular Weight
g/mol
451.1252
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
239
TPSA
May have limited oral absorption
7
H-Bond Donors
11
H-Bond Acceptors
875
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C=NC(=C1F)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CC2=C(N=C(NC2=O)N)NIsomeric SMILES
SMILES: C1=C(C=NC(=C1F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CC2=C(N=C(NC2=O)N)NSynonyms(14)
TH96192379556-22-4(5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid(E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acidorb2565177CHEMBL5879031SCHEMBL21494659SCHEMBL30106804TH9619?HY-155950CS-0890189T87512(2S)-2-[[5-[[2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-fluoropyridine-2-carbonyl]amino]pentanedioic acidKUN
Data from PubChem (NCBI)
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Molecular Structure
(5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid
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Drug Network
Trials and conditions connected to (5-(2-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)acetamido)-3-fluoropicolinoyl)-L-glutamic acid
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