lometrexol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 31
PubChem 135413518
Molecular Formula

C21H25N5O6

SMILES

C1[C@H](CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1

synonyms
  • Lometrexol
  • 106400-81-1
  • Lometrexol hydrate
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Properties
Property Value
MW 443.5 g/mol
HBD 6
HBA 8
Rotatable Bond Count 9
Exact Mass 443.18048353 g/mol
Monoisotopic Mass 443.18048353 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 831
xlogp 0.3
Topological Polar Surface Area 183