Molecule card · MolClass #36396
24784404
24784404: 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
- 24784404Mitochondrial Fusion · compound_name
- MolClass ID
- 36396
- InChIKey
- IKGAYBSVOHHTOF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)NN2C(=O)c3ccccc3(NC12(CCCC1))
- Standard InChI
- InChI=1S/C15H19N3O3/c1-2-21-14(20)17-18-13(19)11-7-3-4-8-12(11)16-15(18)9-5-6-10-15/h3-4,7-8,16H,2,5-6,9-10H2,1H3,(H,17,20)
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2NC13CCCC3
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.
- 24791981#31363
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.048
- 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 · 24784404