Molecule card · MolClass #44135
24807661
24807661: 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
- 24807661Mitochondrial Fusion · compound_name
- MolClass ID
- 44135
- InChIKey
- MKWHUTIEFKGPMN-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c5ccccc5(C(=O)C1C=2CC(Nc3ccccc3(N=2))c4ccccc4)
- Standard InChI
- InChI=1S/C24H18N2O2/c27-23-16-10-4-5-11-17(16)24(28)22(23)21-14-20(15-8-2-1-3-9-15)25-18-12-6-7-13-19(18)26-21/h1-13,20,22,25H,14H2
- Stored Murcko scaffold
- N=1c2ccccc2NC(c3ccccc3)CC1C4[CH]c5ccccc5[CH]4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.398
- 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 · 24807661