Molecule card · MolClass #44973
24813837
24813837: 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
- 24813837Mitochondrial Fusion · compound_name
- MolClass ID
- 44973
- InChIKey
- QLDVYFYGXPIVHC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C13(CC2CC(C1)CC(C2)(C3)N5N=CC(NCc4ccccc4)=C(C5(=O))Cl)
- Standard InChI
- InChI=1S/C22H24ClN3O3/c23-18-17(24-11-14-4-2-1-3-5-14)12-25-26(19(18)27)22-9-15-6-16(10-22)8-21(7-15,13-22)20(28)29/h1-5,12,15-16,24H,6-11,13H2,(H,28,29)
- Stored Murcko scaffold
- N1=CC(=C[CH]N1C23CC4CC(CC(C4)C2)C3)NCc5ccccc5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.898 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.868
- 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 · 24813837