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AXX : Summary

Code

AXX

One-letter code

X

Molecule name

2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OpenEye OEToolkits 1.5.0 2-(cyclopropylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula

C13 H16 N2 O2 S

Formal charge

0

Molecular weight

264.343 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1c3c(sc1NC(=O)C2CC2)CCCC3)N
SMILES CACTVS 3.341 NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13
SMILES OpenEye OEToolkits 1.5.0 C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1
Canonical SMILES CACTVS 3.341 NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1

IUPAC InChI

InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)

IUPAC InChI key

VATFNEMGBRWLHI-UHFFFAOYSA-N
AXX

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned