Chemical Components in the PDB

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FG9 : Summary

Code

FG9

One-letter code

X

Molecule name

~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

Formula

C18 H22 N6 O

Formal charge

0

Molecular weight

338.407 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
SMILES OpenEye OEToolkits 2.0.6 c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N
Canonical SMILES CACTVS 3.385 Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N

IUPAC InChI

InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)

IUPAC InChI key

LRBZZLHCFITOFC-UHFFFAOYSA-N
FG9

wwPDB Information

Atom count

47 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-15

Last modified at

2019-02-15

Status

Released

Obsoleted

Not Assigned