ChemComp-Z0I: N-(1H-indol-7-yl)acetamide

Basic information

• Entry: Database: PDB chemical components / ID: Z0I
• Name: Name: N-(1H-indol-7-yl)acetamide

Chemical information

Composition

Formula: C₁₀H₁₀N₂O / Number of atoms: 23 / Formula weight: 174.199 / Formal charge: 0

Others

7g8m

Type: non-polymer / PDB classification: HETAIN / Three letter code: Z0I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G8M

History

Create component	Jun 22, 2023
Initial release	Jul 12, 2023

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: CC(=O)Nc1cccc2cc[NH]c12
• CACTVS 3.385: CC(=O)Nc1cccc2cc[nH]c12
• OpenEye OEToolkits 2.0.7: CC(=O)Nc1cccc2c1[nH]cc2

SMILES CANONICAL

• CACTVS 3.385: CC(=O)Nc1cccc2cc[nH]c12
• OpenEye OEToolkits 2.0.7: CC(=O)Nc1cccc2c1[nH]cc2

InChI

• InChI 1.06: InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)

InChIKey

• InChI 1.06: DCOHDTHCOCZQTO-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-(1H-indol-7-yl)acetamide
• OpenEye OEToolkits 2.0.7: ~{N}-(1~{H}-indol-7-yl)ethanamide

PDB entries

Showing all 2 items

PDB-7g8m:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547

PDB-7h44:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1255459547 (A71EV2A-x0554)