Molecule card · MolClass #38908
24819311
24819311: 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
- 24819311Mitochondrial Fusion · compound_name
- MolClass ID
- 38908
- InChIKey
- LARMTFYJMWKZRI-UHFFFAOYSA-N
- Canonical SMILES
- Nc3nc(c1ccccc1c3(c2ccccc2))Br
- Standard InChI
- InChI=1S/C15H11BrN2/c16-14-12-9-5-4-8-11(12)13(15(17)18-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)
- Stored Murcko scaffold
- n1cc2ccccc2c(c1)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.165 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.774
- 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 · 24819311