Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

E2F : Summary

Code

E2F

One-letter code

X

Molecule name

2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine

Formula

C19 H21 Cl N2 O

Formal charge

0

Molecular weight

328.836 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4
Canonical SMILES CACTVS 3.385 Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4

IUPAC InChI

InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2

IUPAC InChI key

FAAYNSPZJRWJJC-UHFFFAOYSA-N
E2F

wwPDB Information

Atom count

44 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-02

Last modified at

2020-05-22

Status

Released

Obsoleted

Not Assigned