Chemical Components in the PDB

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MZN : Summary

Code

MZN

One-letter code

X

Molecule name

7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one

Formula

C21 H20 F N3 O3

Formal charge

0

Molecular weight

381.4 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F
SMILES OpenEye OEToolkits 2.0.7 CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O
Canonical SMILES CACTVS 3.385 CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O

IUPAC InChI

InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1

IUPAC InChI key

RWOYGQRZJZBHOJ-GFCCVEGCSA-N
MZN

wwPDB Information

Atom count

48 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-30

Last modified at

2020-04-03

Status

Released

Obsoleted

Not Assigned