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Chemical structure of DHFR-IN-5

GC75479

DHFR-IN-5

Also known as 3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid

DHFR-IN-5 is a potent and orally active dihydrofolate reductase (DHFR) inhibitor with a Ki value of 0·54 nM for quadruple mutant Plasmodium falciparum DHFR

ChemicalCAS1142407-81-5MW360.41FormulaC18H24N4O4
CAS number
1142407-81-5
Molecular weight
360.41
Formula
C18H24N4O4
InChIKey
VDGXZSSDCDPCRF-UHFFFAOYSA-N
Catalogue number
GC75479
Brand
GLPBIO
Computed properties PubChem CID 66563688 · XLogP 2.1 · TPSA 134 Ų · H-bond donors 3
XLogP
2.1
TPSA
134 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
26

SMILES CCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2CCC(=O)O

Computed descriptors from PubChem (CID 66563688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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