Molecule card · MolClass #47223
24814481
24814481: 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
- 24814481Mitochondrial Fusion · compound_name
- MolClass ID
- 47223
- InChIKey
- AKBSQCFRRYJKJD-UHFFFAOYSA-N
- Canonical SMILES
- Oc4ccccc4(NC(=O)NCN2C(=O)C3C1C=CC(C1)C3(C2(=O)))
- Standard InChI
- InChI=1S/C17H17N3O4/c21-12-4-2-1-3-11(12)19-17(24)18-8-20-15(22)13-9-5-6-10(7-9)14(13)16(20)23/h1-6,9-10,13-14,21H,7-8H2,(H2,18,19,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCN2[CH]C3C4C=CC(C4)C3[CH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.863
- 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 · 24814481