Chemical Components in the PDB

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XOC : Summary

Code

XOC

One-letter code

X

Molecule name

N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide

Synonyms

FD44

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide

Formula

C19 H21 N3 O S

Formal charge

0

Molecular weight

339.455 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4
Canonical SMILES CACTVS 3.385 O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4

IUPAC InChI

InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)

IUPAC InChI key

ALVVXSSFOOYRDP-UHFFFAOYSA-N
XOC

wwPDB Information

Atom count

45 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned