Molecule card · MolClass #48149
4243740
4243740: 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
- 4243740Mitochondrial Fusion · compound_name
- MolClass ID
- 48149
- InChIKey
- LOEXMHHZJNIPPB-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C3C(C(=O)N2CCC(C)CC2)c4ccccc4(C(=O)N3(C))
- Standard InChI
- InChI=1S/C24H28N2O3/c1-16-12-14-26(15-13-16)24(28)21-19-6-4-5-7-20(19)23(27)25(2)22(21)17-8-10-18(29-3)11-9-17/h4-11,16,21-22H,12-15H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2C([CH]N3CCCCC3)C1c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.609
- 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 · 4243740