Chemical Components in the PDB

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FCW : Summary

Code

FCW

One-letter code

X

Molecule name

5-cyclohexyl-1,3-dihydroindol-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 5-cyclohexyl-1,3-dihydroindol-2-one

Formula

C14 H17 N O

Formal charge

0

Molecular weight

215.291 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1Cc2cc(ccc2N1)C3CCCCC3
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C3CCCCC3)CC(=O)N2
Canonical SMILES CACTVS 3.385 O=C1Cc2cc(ccc2N1)C3CCCCC3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C3CCCCC3)CC(=O)N2

IUPAC InChI

InChI=1S/C14H17NO/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,15,16)

IUPAC InChI key

GAMOWVPYWCFRMK-UHFFFAOYSA-N
FCW

wwPDB Information

Atom count

33 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-09

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned