Chemical Components in the PDB

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HS0 : Summary

Code

HS0

One-letter code

X

Molecule name

6-bromanyl-1~{H}-indazol-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-bromanyl-1~{H}-indazol-4-amine

Formula

C7 H6 Br N3

Formal charge

0

Molecular weight

212.047 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1cc(Br)cc2[nH]ncc12
SMILES OpenEye OEToolkits 2.0.7 c1c(cc2c(c1N)cn[nH]2)Br
Canonical SMILES CACTVS 3.385 Nc1cc(Br)cc2[nH]ncc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(cc2c(c1N)cn[nH]2)Br

IUPAC InChI

InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)

IUPAC InChI key

JORDVWJEXMDSBI-UHFFFAOYSA-N
HS0

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-29

Last modified at

2021-07-16

Status

Released

Obsoleted

Not Assigned