Molecule card · MolClass #38378
24829605
24829605: 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
- 24829605Mitochondrial Fusion · compound_name
- MolClass ID
- 38378
- InChIKey
- NLIJLSIIYDVJOZ-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CC(=O)OCC1=CC(=O)N2C=C(C=CC2(=N1))Br)cc3(OC)
- Standard InChI
- InChI=1S/C19H17BrN2O5/c1-25-15-5-3-12(7-16(15)26-2)8-19(24)27-11-14-9-18(23)22-10-13(20)4-6-17(22)21-14/h3-7,9-10H,8,11H2,1-2H3
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=C1CO[CH]Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 433.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.682
- 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 · 24829605