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Methotrexate
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NAMES
  • Abitrexate
  • Amethopterin
  • CL-14377
  • Ebetrex
  • Emtexate High-Pot
  • Emtexate PF
  • Folex
  • Maxtrex
  • Methotrexate
  • Methylaminopterin
  • Metoject
  • Mexate
  • Mexate-AQ
  • MTX
  • Otrexup
  • Otrexup pfs
  • Rasuvo
  • Rheumatrex
  • TCMDC-123832
  • TCMDC-125488
  • TCMDC-125858
  • Trexall
  • Zlatal
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
MOLECULAR FORMULA
C20H22N8O5
CROSS REFERENCES
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Methotrexate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 454.17
AlogP 0.27
HBond donors 7
HBond acceptors 13
Atoms 55
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS