Chemical Components in the PDB

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KFC : Summary

Code

KFC

One-letter code

X

Molecule name

~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

Formula

C22 H23 N3 O

Formal charge

0

Molecular weight

345.438 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)c(cc(n2)C(=O)NC3CCCC3)Nc4ccccc4
Canonical SMILES CACTVS 3.385 Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)c(cc(n2)C(=O)NC3CCCC3)Nc4ccccc4

IUPAC InChI

InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)

IUPAC InChI key

YSFGQDYFFHGWOC-UHFFFAOYSA-N
KFC

wwPDB Information

Atom count

49 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-05-25

Last modified at

2022-09-23

Status

Released

Obsoleted

Not Assigned