4'-Methylene-5,8,10-trideazaaminopterin
2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
Molecular Identity
4'-Methylene-5,8,10-trideazaaminopterin
2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
PubChem CID: 9846537
2D Structure
Properties
C23H23N5O5
Molecular Formula
449.50
Molecular Weight
g/mol
449.1699
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)OIsomeric SMILES
SMILES: C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)OSynonyms(20)
MobileTrexM-TrexCH-1504238074-89-0Tridam4'-methylene-5,8,10-trideazaaminopterin8Y3RH62XPBCH 1504AA-243RefChem:960412-((4-(2-(2,4-diaminoquinazolin-6-yl)ethyl)phenyl)formamido)-4-methylidenepentanedioic acidUNII-8Y3RH62XPB4-Amino-4-deoxy-5,8,10-trideazapteroyl-d,l-4'-methyleneglutamic acid2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acidSCHEMBL7281
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4'-Methylene-5,8,10-trideazaaminopterin
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