Molecule card · MolClass #37587
24800060
24800060: 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
- 24800060Mitochondrial Fusion · compound_name
- MolClass ID
- 37587
- InChIKey
- NKPFZRWUCLXYHD-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cccc(CN3CCN(Cc1cccc2nonc12)CC3(CCO))n4
- Standard InChI
- InChI=1S/C20H25N5O2/c1-15-4-2-6-17(21-15)13-25-10-9-24(14-18(25)8-11-26)12-16-5-3-7-19-20(16)23-27-22-19/h2-7,18,26H,8-14H2,1H3
- Stored Murcko scaffold
- n1onc2c1cccc2CN3CCN(Cc4ncccc4)CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.614
- 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 · 24800060