Molecule card · MolClass #42764
4262204
4262204: 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
- 4262204Mitochondrial Fusion · compound_name
- MolClass ID
- 42764
- InChIKey
- QSTBRYRYLZWOMN-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1)N3C(=O)c4ccccc4(NC23(CCCCC2))
- Standard InChI
- InChI=1S/C19H20N2O2/c22-15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)20-19(21)12-4-1-5-13-19/h2-3,6-11,20,22H,1,4-5,12-13H2
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]c3ccccc3NC24CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.124
- 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 · 4262204