Molecule card · MolClass #37240
24790523
24790523: 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
- 24790523Mitochondrial Fusion · compound_name
- MolClass ID
- 37240
- InChIKey
- MVFLVBNFLGBWOI-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2=CC(=NCCN2)C(F)(F)F
- Standard InChI
- InChI=1S/C13H13F3N2O/c1-19-10-4-2-9(3-5-10)11-8-12(13(14,15)16)18-7-6-17-11/h2-5,8,17H,6-7H2,1H3
- Stored Murcko scaffold
- N1=CC=C(NCC1)c2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.754
- 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 · 24790523