Chemical Components in the PDB

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6GI : Summary

Code

6GI

One-letter code

X

Molecule name

13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine

Systematic names

Not Assigned

Formula

C26 H23 N7 O3

Formal charge

0

Molecular weight

481.506 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5
SMILES OpenEye OEToolkits 2.0.7 c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N
Canonical SMILES CACTVS 3.385 NC1=Nc2nc3cc4OCCCOc4cc3n2[C@@H](N1)c5ccc(OCc6cn7ccccc7n6)cc5
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N

IUPAC InChI

InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1

IUPAC InChI key

YNNIPDFDZWDMRE-XMMPIXPASA-N
6GI

wwPDB Information

Atom count

59 (36 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-10

Last modified at

2022-02-18

Status

Released

Obsoleted

Not Assigned