Molecule card · MolClass #44550
24795304
24795304: 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
- 24795304Mitochondrial Fusion · compound_name
- MolClass ID
- 44550
- InChIKey
- CDLUOICURMZMFL-UHFFFAOYSA-N
- Canonical SMILES
- OC(CNc1ccccc1)Cn3ccc2ccccc23
- Standard InChI
- InChI=1S/C17H18N2O/c20-16(12-18-15-7-2-1-3-8-15)13-19-11-10-14-6-4-5-9-17(14)19/h1-11,16,18,20H,12-13H2
- Stored Murcko scaffold
- c1ccc(cc1)NCCCn2ccc3ccccc32
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.
- 653757#10993
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.265
- 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 · 24795304