Molecule card · MolClass #41288
24811523
24811523: 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
- 24811523Mitochondrial Fusion · compound_name
- MolClass ID
- 41288
- InChIKey
- ITPZGQFALHQYLC-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(CNC(=O)c1cccnc1Cl)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C17H14ClN3O/c1-11-9-12(13-5-2-3-7-15(13)21-11)10-20-17(22)14-6-4-8-19-16(14)18/h2-9H,10H2,1H3,(H,20,22)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NCc2ccnc3ccccc32
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.766 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.014
- 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 · 24811523