Molecule card · MolClass #44014
24796947
24796947: 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
- 24796947Mitochondrial Fusion · compound_name
- MolClass ID
- 44014
- InChIKey
- LUQHKUZHTSXQFA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)c3nnn(CC(=O)N(C)C2CCCCC2)n3
- Standard InChI
- InChI=1S/C15H21N5O2/c1-11-8-9-13(22-11)15-16-18-20(17-15)10-14(21)19(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
- Stored Murcko scaffold
- n1nn(nc1-c2occc2)C[CH][N]C3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.356
- 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 · 24796947