Molecule card · MolClass #36528
7977852
7977852: 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
- 7977852Mitochondrial Fusion · compound_name
- MolClass ID
- 36528
- InChIKey
- BMSQIJFIMYFICP-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC4(Nc2ccccc12)(C(=O)Nc3ccccc34)
- Standard InChI
- InChI=1S/C15H11N3O2/c19-13-9-5-1-3-7-11(9)17-15(18-13)10-6-2-4-8-12(10)16-14(15)20/h1-8,17H,(H,16,20)(H,18,19)
- Stored Murcko scaffold
- c1ccc2NC3([CH]Nc4ccccc43)N[CH]c2c1
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.
- 24825150#27235
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.24
- 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 · 7977852