Chemical Components in the PDB

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MXI : Summary

Code

MXI

One-letter code

X

Molecule name

4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[2-~{tert}-butyl-4-(6-methoxynaphthalen-2-yl)-1~{H}-imidazol-5-yl]pyridin-2-amine

Formula

C23 H24 N4 O

Formal charge

0

Molecular weight

372.463 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N
Canonical SMILES CACTVS 3.385 COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N

IUPAC InChI

InChI=1S/C23H24N4O/c1-23(2,3)22-26-20(21(27-22)17-9-10-25-19(24)13-17)16-6-5-15-12-18(28-4)8-7-14(15)11-16/h5-13H,1-4H3,(H2,24,25)(H,26,27)

IUPAC InChI key

KTHRIEHJGYTJED-UHFFFAOYSA-N
MXI

wwPDB Information

Atom count

52 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-08-16

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned