Molecule card · MolClass #43004
24838168
24838168: 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
- 24838168Mitochondrial Fusion · compound_name
- MolClass ID
- 43004
- InChIKey
- SOKMLGQJNAJECL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2N=C(CCC2(=O))C(=O)N4CC(=O)Nc3ccccc34
- Standard InChI
- InChI=1S/C20H18N4O3/c1-13-5-4-6-14(11-13)24-19(26)10-9-16(22-24)20(27)23-12-18(25)21-15-7-2-3-8-17(15)23/h2-8,11H,9-10,12H2,1H3,(H,21,25)
- Stored Murcko scaffold
- N1=C([CH]N2c3ccccc3N[CH]C2)CC[CH]N1c4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.694
- 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 · 24838168