A1CE5

1H-indole-2-carboxamide

Created:	2025-06-06
Last modified:	2025-11-05

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1 entries where A1CE5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	10

2D diagram of A1CE5

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Chemical Component Summary
Name	1H-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	1~{H}-indole-2-carboxamide
Formula	C₉ H₈ N₂ O
Molecular Weight	160.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NC(=O)c1cc2ccccc2[NH]1
SMILES	CACTVS	3.385	NC(=O)c1[nH]c2ccccc2c1
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)cc([nH]2)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1[nH]c2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)cc([nH]2)C(=O)N
InChI	InChI	1.06	InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
InChIKey	InChI	1.06	VFHUJFBEFDVZPJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	594832

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.