Chemical Components in the PDB

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5NO : Summary

Code

5NO

One-letter code

X

Molecule name

1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

Formula

C21 H23 N5 O2

Formal charge

0

Molecular weight

377.44 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15
SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5
Canonical SMILES CACTVS 3.385 OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15
Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5

IUPAC InChI

InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2

IUPAC InChI key

KSHJXDWYTZJUEI-UHFFFAOYSA-N
5NO

wwPDB Information

Atom count

51 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned