Molecule card · MolClass #40163
24811109
24811109: 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
- 24811109Mitochondrial Fusion · compound_name
- MolClass ID
- 40163
- InChIKey
- SMQFDEQAZJZWJB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(=O)CCCn2cc(cn2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H15N5O3/c1-10-4-2-5-12(15-10)16-13(19)6-3-7-17-9-11(8-14-17)18(20)21/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,16,19)
- Stored Murcko scaffold
- n1ccccc1N[CH]CCCn2nccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.859
- 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 · 24811109