Molecule card · MolClass #49480
24796700
24796700: 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
- 24796700Mitochondrial Fusion · compound_name
- MolClass ID
- 49480
- InChIKey
- DYXQRMUYYMVLRM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CNCc1ccccc1Cl)Nc2ccccc2N3CCCCC3
- Standard InChI
- InChI=1S/C20H24ClN3O/c21-17-9-3-2-8-16(17)14-22-15-20(25)23-18-10-4-5-11-19(18)24-12-6-1-7-13-24/h2-5,8-11,22H,1,6-7,12-15H2,(H,23,25)
- Stored Murcko scaffold
- c1ccc(cc1)CNC[CH]Nc2ccccc2N3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.878 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.087
- 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 · 24796700