Molecule card · MolClass #48794
24801827
24801827: 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
- 24801827Mitochondrial Fusion · compound_name
- MolClass ID
- 48794
- InChIKey
- HAGYZVCWBVVOAS-QINSGFPZSA-N
- Canonical SMILES
- CCCN4C(=O)C(=Cc1nc(O)c2ccccc2(n1))c3ccccc34
- Standard InChI
- InChI=1S/C20H17N3O2/c1-2-11-23-17-10-6-4-7-13(17)15(20(23)25)12-18-21-16-9-5-3-8-14(16)19(24)22-18/h3-10,12H,2,11H2,1H3,(H,21,22,24)/b15-12-
- Stored Murcko scaffold
- n1cc2ccccc2nc1C=C3[CH][N]c4ccccc43
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.497
- 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 · 24801827