Chemical Components in the PDB

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Q7W : Summary

Code

Q7W

One-letter code

X

Molecule name

~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide

Formula

C14 H12 Cl N O Se

Formal charge

0

Molecular weight

324.664 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]
Canonical SMILES CACTVS 3.385 Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]

IUPAC InChI

InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)

IUPAC InChI key

QFDPOECXODPRIP-UHFFFAOYSA-N
Q7W

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-26

Last modified at

2020-09-11

Status

Released

Obsoleted

Not Assigned