Chemical Components in the PDB

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EQX : Summary

Code

EQX

One-letter code

X

Molecule name

4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid

Formula

C14 H14 N6 O3

Formal charge

0

Molecular weight

314.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1
SMILES OpenEye OEToolkits 2.0.7 Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O
Canonical SMILES CACTVS 3.385 Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O

IUPAC InChI

InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23)

IUPAC InChI key

JYHOPYYRJYRCCN-UHFFFAOYSA-N
EQX

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-21

Last modified at

2020-06-19

Status

Released

Obsoleted

Not Assigned