Chemical Components in the PDB

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RKZ : Summary

Code

RKZ

One-letter code

X

Molecule name

4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

Formula

C21 H22 N6 O

Formal charge

0

Molecular weight

374.439 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4
SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(nc2n1CC(C)Oc3ccccc3)c4cc(nc(c4)N)N
Canonical SMILES CACTVS 3.385 C[C@H](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N

IUPAC InChI

InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1

IUPAC InChI key

PUGXENIKUPHCAF-CYBMUJFWSA-N
RKZ

wwPDB Information

Atom count

50 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-01

Last modified at

2021-05-21

Status

Released

Obsoleted

Not Assigned