A1LWI

5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde

Created:	2024-01-16
Last modified:	2025-01-15

Find Related PDB Entry
1 entries where A1LWI is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	24

2D diagram of A1LWI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde
Systematic Name (OpenEye OEToolkits)	5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde
Formula	C₁₉ H₁₂ N₂ O
Molecular Weight	284.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=Cc1c2[nH]c3ccccc3c2cc4[nH]c5ccccc5c14
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]2)C=O
Canonical SMILES	CACTVS	3.385	O=Cc1c2[nH]c3ccccc3c2cc4[nH]c5ccccc5c14
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]2)C=O
InChI	InChI	1.06	InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
InChIKey	InChI	1.06	ZUDXFBWDXVNRKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL472031
PubChem	1863
ChEMBL	CHEMBL472031
ChEBI	CHEBI:94466

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.