Molecule card · MolClass #51512
14738592
14738592: 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
- 14738592Mitochondrial Fusion · compound_name
- MolClass ID
- 51512
- InChIKey
- CIJMHVHUUVMMAS-DEDYPNTBSA-N
- Canonical SMILES
- COc4ccc(C=C2CCc1ccccc1C2(=O))cc4(Cn3nc(C)cc3(C))
- Standard InChI
- InChI=1S/C24H24N2O2/c1-16-12-17(2)26(25-16)15-21-14-18(8-11-23(21)28-3)13-20-10-9-19-6-4-5-7-22(19)24(20)27/h4-8,11-14H,9-10,15H2,1-3H3/b20-13+
- Stored Murcko scaffold
- n1cccn1Cc2cccc(c2)C=C3[CH]c4ccccc4CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.46 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.533
- 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 · 14738592