aminopterin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

440.42

ALogP

0.24

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1
  • InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N
    InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL376180   ChEMBL
aminopterin *

CHEMBL2104643   ChEMBL
aminopterin sodium

JYB41CTM2Q   NCATS
aminopterin *

Aminopterin   Wikipedia

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