Molecule card · MolClass #51861
14724618
14724618: 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
- 14724618Mitochondrial Fusion · compound_name
- MolClass ID
- 51861
- InChIKey
- OJLXWMMIYKCGBJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(c3nnnn3(C2CCCCC2))N(C)C4CCCCC4
- Standard InChI
- InChI=1S/C22H33N5/c1-17-13-15-18(16-14-17)21(26(2)19-9-5-3-6-10-19)22-23-24-25-27(22)20-11-7-4-8-12-20/h13-16,19-21H,3-12H2,1-2H3
- Stored Murcko scaffold
- n1nc(n(n1)C2CCCCC2)C(NC3CCCCC3)c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.639
- 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 · 14724618