Molecule card · MolClass #38857
14724643
14724643: 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
- 14724643Mitochondrial Fusion · compound_name
- MolClass ID
- 38857
- InChIKey
- KMAVVPHOTMNZLL-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC2(CC1)(Nc4cccc3cccc(N2)c34)
- Standard InChI
- InChI=1S/C16H18N2/c1-2-10-16(11-3-1)17-13-8-4-6-12-7-5-9-14(18-16)15(12)13/h4-9,17-18H,1-3,10-11H2
- Stored Murcko scaffold
- c1cc2cccc3NC4(Nc(c1)c23)CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.329
- 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 · 14724643