Molecule card · MolClass #49409
24805277
24805277: 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
- 24805277Mitochondrial Fusion · compound_name
- MolClass ID
- 49409
- InChIKey
- MPMZSHBASKBPKF-QXMHVHEDSA-N
- Canonical SMILES
- Cc2cc(C=Cc1ccccc1)nc3ccccc23
- Standard InChI
- InChI=1S/C18H15N/c1-14-13-16(12-11-15-7-3-2-4-8-15)19-18-10-6-5-9-17(14)18/h2-13H,1H3/b12-11-
- Stored Murcko scaffold
- n1c(C=Cc2ccccc2)ccc3ccccc13
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.863
- 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 · 24805277