Chemical Components in the PDB

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73Y : Summary

Code

73Y

One-letter code

X

Molecule name

6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide

Formula

C29 H18 Br N5 O

Formal charge

0

Molecular weight

532.39 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
SMILES OpenEye OEToolkits 2.0.5 c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5C4NC(=O)c6c(cnc7c6nc[nH]7)Br
Canonical SMILES CACTVS 3.385 Brc1cnc2[nH]cnc2c1C(=O)N[C@@H]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
Canonical SMILES OpenEye OEToolkits 2.0.5 c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br

IUPAC InChI

InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1

IUPAC InChI key

RAMVCRWNNFBAKK-AREMUKBSSA-N
73Y

wwPDB Information

Atom count

54 (36 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-08-22

Last modified at

2017-09-08

Status

Released

Obsoleted

Not Assigned