Chemical Components in the PDB

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SVT : Summary

Code

SVT

One-letter code

X

Molecule name

5-methoxy-1~{H}-indazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-methoxy-1~{H}-indazole

Formula

C8 H8 N2 O

Formal charge

0

Molecular weight

148.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2[nH]ncc2c1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)cn[nH]2
Canonical SMILES CACTVS 3.385 COc1ccc2[nH]ncc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)cn[nH]2

IUPAC InChI

InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)

IUPAC InChI key

GZWWDKIVVTXLFL-UHFFFAOYSA-N
SVT

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-02

Last modified at

2020-12-04

Status

Released

Obsoleted

Not Assigned