Molecule card · MolClass #38463
24782203
24782203: 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
- 24782203Mitochondrial Fusion · compound_name
- MolClass ID
- 38463
- InChIKey
- RQLNOPYLQNBREM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cnccc2(CNC(=O)CC1C(=O)NCCN1(CC(C)(C)C))
- Standard InChI
- InChI=1S/C18H28N4O2/c1-13-10-19-6-5-14(13)11-21-16(23)9-15-17(24)20-7-8-22(15)12-18(2,3)4/h5-6,10,15H,7-9,11-12H2,1-4H3,(H,20,24)(H,21,23)
- Stored Murcko scaffold
- n1ccc(cc1)CN[CH]CC2[CH]NCCN2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.615
- 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 · 24782203