Chemical Components in the PDB

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CFP : Summary

Code

CFP

One-letter code

X

Molecule name

6-CHLORO-2-FLUOROPURINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-chloro-2-fluoro-9H-purine
OpenEye OEToolkits 1.5.0 6-chloro-2-fluoro-9H-purine

Formula

C5 H2 Cl F N4

Formal charge

0

Molecular weight

172.548 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc2nc1c(ncn1)c(Cl)n2
SMILES CACTVS 3.341 Fc1nc(Cl)c2nc[nH]c2n1
SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)F)Cl
Canonical SMILES CACTVS 3.341 Fc1nc(Cl)c2nc[nH]c2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)F)Cl

IUPAC InChI

InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

IUPAC InChI key

UNRIYCIDCQDGQE-UHFFFAOYSA-N
CFP

wwPDB Information

Atom count

13 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-06-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned