Talotrexin
2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Molecular Identity
Talotrexin
2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
PubChem CID: 130731
2D Structure
Properties
C27H27N9O6
Molecular Formula
573.60
Molecular Weight
g/mol
573.2084
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
248
TPSA
May have limited oral absorption
7
H-Bond Donors
13
H-Bond Acceptors
949
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Talotrexin113857-87-7talotrexinatalotrexineA8E516A20KNSC-623017NSC-633713N(alpha)-(4-Amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithinetalotrexinumTalopterinNSC623017RefChem:1873242-(((4S)-4-carboxy-4-((4-(((2,4-diaminopteridin-6-yl)methyl)amino)phenyl)formamido)butyl)carbamoyl)benzoic acidTalotrexin [INN]2-[[(4S)-4-CARBOXY-4-[[4-[(2,4-DIAMINOPTERIDIN-6-YL)METHYLAMINO]BENZOYL]AMINO]BUTYL]CARBAMOYL]BENZOIC ACID
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Talotrexin
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