Chemical Components in the PDB

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FD6 : Summary

Code

FD6

One-letter code

X

Molecule name

N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine

Formula

C19 H23 Cl N4 S

Formal charge

0

Molecular weight

374.931 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24
SMILES OpenEye OEToolkits 1.7.6 CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl
Canonical SMILES CACTVS 3.385 CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24
Canonical SMILES OpenEye OEToolkits 1.7.6 CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl

IUPAC InChI

InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3

IUPAC InChI key

FCJWPLVHJGKUHJ-UHFFFAOYSA-N
FD6

wwPDB Information

Atom count

48 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-10

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned