Molecule card · MolClass #47978
24788253
24788253: 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
- 24788253Mitochondrial Fusion · compound_name
- MolClass ID
- 47978
- InChIKey
- FSSIBMPSZDRZTN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N(C)C(=O)n3cnc2ccccc23
- Standard InChI
- InChI=1S/C16H15N3O/c1-12-7-9-13(10-8-12)18(2)16(20)19-11-17-14-5-3-4-6-15(14)19/h3-11H,1-2H3
- Stored Murcko scaffold
- [N]([CH]n1cnc2ccccc21)c3ccccc3
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.
- 22403952#46002
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.473
- 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 · 24788253