Chemical Components in the PDB

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2ZT : Summary

Code

2ZT

One-letter code

X

Molecule name

2-[(quinolin-7-yloxy)methyl]quinoline

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(quinolin-7-yloxy)methyl]quinoline
OpenEye OEToolkits 1.7.6 2-(quinolin-7-yloxymethyl)quinoline

Formula

C19 H14 N2 O

Formal charge

0

Molecular weight

286.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4
SMILES CACTVS 3.385 C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3
Canonical SMILES CACTVS 3.385 C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3

IUPAC InChI

InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2

IUPAC InChI key

XVPLFTQUQMWPKC-UHFFFAOYSA-N
2ZT

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-09-20

Last modified at

2014-05-09

Status

Released

Obsoleted

Not Assigned