Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TFP : Summary

Code

TFP

One-letter code

X

Molecule name

10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
OpenEye OEToolkits 1.5.0 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Formula

C21 H24 F3 N3 S

Formal charge

0

Molecular weight

407.496 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
SMILES CACTVS 3.341 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
SMILES OpenEye OEToolkits 1.5.0 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
Canonical SMILES CACTVS 3.341 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F

IUPAC InChI

InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3

IUPAC InChI key

ZEWQUBUPAILYHI-UHFFFAOYSA-N
TFP

wwPDB Information

Atom count

52 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned