Molecule card · MolClass #40378
24800175
24800175: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24800175Mitochondrial Fusion · compound_name
- MolClass ID
- 40378
- InChIKey
- ZNQWWZLPHMCERI-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccon1)N(C)Cc3c(nc2ccccn23)C(=O)N(C)Cc4ccccc4
- Standard InChI
- InChI=1S/C23H25N5O2/c1-17(19-12-14-30-25-19)26(2)16-20-22(24-21-11-7-8-13-28(20)21)23(29)27(3)15-18-9-5-4-6-10-18/h4-14,17H,15-16H2,1-3H3
- Stored Murcko scaffold
- n1occc1CNCc2c(nc3ccccn32)[CH][N]Cc4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.478 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.943
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24800175