Molecule card · MolClass #47482
24779353
24779353: 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
- 24779353Mitochondrial Fusion · compound_name
- MolClass ID
- 47482
- InChIKey
- ZRUFOPMDXTUDQG-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(NC(=O)N1c2ccc(cc2)Cl)N3CCCCCC3
- Standard InChI
- InChI=1S/C16H18ClN3O2/c17-12-5-7-13(8-6-12)20-15(21)11-14(18-16(20)22)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2,(H,18,22)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C=C(N[CH]2)N3CCCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.787 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.498
- 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 · 24779353