Chemical Components in the PDB

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JCZ : Summary

Code

JCZ

One-letter code

X

Molecule name

3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine

Formula

C11 H10 N4

Formal charge

0

Molecular weight

198.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N
Canonical SMILES CACTVS 3.385 Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N

IUPAC InChI

InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)

IUPAC InChI key

WGNBSWSUVHVDSW-UHFFFAOYSA-N
JCZ

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-19

Last modified at

2020-03-13

Status

Released

Obsoleted

Not Assigned