Molecule card · MolClass #41457
24837449
24837449: 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
- 24837449Mitochondrial Fusion · compound_name
- MolClass ID
- 41457
- InChIKey
- INJHUNQUROGQAD-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)CN3C(=O)NC1(CCc2ccccc2(C1))C3(=O)
- Standard InChI
- InChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)12-21-16(23)18(19-17(21)24)10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
- Stored Murcko scaffold
- [N]1[CH]NC2([CH]1)Cc3ccccc3CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.275
- 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 · 24837449