SRI-20920   Click here for help

GtoPdb Ligand ID: 10987

Synonyms: SRI 20920 | SRI20920
Compound class: Synthetic organic
Comment: SRI-20920 is a Mycobacterium avium dihydrofolate reductase (DHFR) inhibitor, anti-folate antibiotic [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 121.2
Molecular weight 382.21
XLogP 2.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC
Isomeric SMILES CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC
InChI InChI=1S/C20H26N6O2/c1-4-8-28-16-7-6-14(27-5-2)9-15(16)23-10-13-11-24-19-17(12(13)3)18(21)25-20(22)26-19/h6-7,9,11,23H,4-5,8,10H2,1-3H3,(H4,21,22,24,25,26)
InChI Key SZAZJRVSIHGLCG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[(5-ethoxy-2-propoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Synonyms Click here for help
SRI 20920 | SRI20920
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 257
Other databases
GtoPdb PubChem SID 405560428
PubChem CID 15954345
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