Chemical Components in the PDB

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NVK : Summary

Code

NVK

One-letter code

X

Molecule name

1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

Formula

C17 H13 N5 O2

Formal charge

0

Molecular weight

319.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
Canonical SMILES CACTVS 3.385 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4

IUPAC InChI

InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)

IUPAC InChI key

AKMNUCBQGHFICM-UHFFFAOYSA-N
NVK

wwPDB Information

Atom count

37 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-12-16

Last modified at

2019-12-27

Status

Released

Obsoleted

Not Assigned