Molecule card · MolClass #48721
24785415
24785415: 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
- 24785415Mitochondrial Fusion · compound_name
- MolClass ID
- 48721
- InChIKey
- VBRLRQNXXZYTJV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN2C(=O)c3ccccc3(NC2(c1ccoc1)))c4ccccc4
- Standard InChI
- InChI=1S/C19H15N3O3/c23-18(13-6-2-1-3-7-13)21-22-17(14-10-11-25-12-14)20-16-9-5-4-8-15(16)19(22)24/h1-12,17,20H,(H,21,23)
- Stored Murcko scaffold
- o1ccc(c1)C2Nc3ccccc3[CH]N2N[CH]c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.373
- 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 · 24785415