Molecule card · MolClass #51873
14724676
14724676: 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
- 14724676Mitochondrial Fusion · compound_name
- MolClass ID
- 51873
- InChIKey
- QOMLWUGYYCHMTJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c5ccccc5(N=C3c4ccccc4(CC1(CCCCC1)N23))
- Standard InChI
- InChI=1S/C21H20N2O/c24-20-17-10-4-5-11-18(17)22-19-16-9-3-2-8-15(16)14-21(23(19)20)12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3C1c4ccccc4CC35CCCCC5
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.397 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.46
- 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 · 14724676