Molecule card · MolClass #47299
24817832
24817832: 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
- 24817832Mitochondrial Fusion · compound_name
- MolClass ID
- 47299
- InChIKey
- LYYNYFNGPCNXDU-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCN1C(=O)CN2C(=O)c3ccccc3(N=C2(C1(C)))
- Standard InChI
- InChI=1S/C17H21N3O2/c1-3-4-7-10-19-12(2)16-18-14-9-6-5-8-13(14)17(22)20(16)11-15(19)21/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]CN2[CH]c3ccccc3N=C2C1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.296
- 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 · 24817832