Molecule card · MolClass #40453
24789693
24789693: 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
- 24789693Mitochondrial Fusion · compound_name
- MolClass ID
- 40453
- InChIKey
- UUBFITKUDCIYOB-UHFFFAOYSA-N
- Canonical SMILES
- CCC=2CC(O)(c1ccncc1)N(N=2)C(=O)Cc3ccccc3
- Standard InChI
- InChI=1S/C18H19N3O2/c1-2-16-13-18(23,15-8-10-19-11-9-15)21(20-16)17(22)12-14-6-4-3-5-7-14/h3-11,23H,2,12-13H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)C2N(N=CC2)[CH]Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.145
- 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 · 24789693