Molecule card · MolClass #45467
24828584
24828584: 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
- 24828584Mitochondrial Fusion · compound_name
- MolClass ID
- 45467
- InChIKey
- FYJNZHPFVLWURE-CAPFRKAQSA-N
- Canonical SMILES
- CCOC(=O)C(=NNc1ccccc1Cl)N(C)C2CCCCC2
- Standard InChI
- InChI=1S/C17H24ClN3O2/c1-3-23-17(22)16(21(2)13-9-5-4-6-10-13)20-19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3/b20-16+
- Stored Murcko scaffold
- N(=CNC1CCCCC1)Nc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.845 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.173
- 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 · 24828584