Molecule card · MolClass #39445
24787881
24787881: 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
- 24787881Mitochondrial Fusion · compound_name
- MolClass ID
- 39445
- InChIKey
- VUASZELONJQIFD-UHFFFAOYSA-N
- Canonical SMILES
- CCC(=O)N4C(=O)C1(Nc2ccccc2(N1))c3ccccc34
- Standard InChI
- InChI=1S/C17H15N3O2/c1-2-15(21)20-14-10-6-3-7-11(14)17(16(20)22)18-12-8-4-5-9-13(12)19-17/h3-10,18-19H,2H2,1H3
- Stored Murcko scaffold
- [N]1[CH]C2(Nc3ccccc3N2)c4ccccc14
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.746
- 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 · 24787881