Molecule card · MolClass #48619
4252002
4252002: 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
- 4252002Mitochondrial Fusion · compound_name
- MolClass ID
- 48619
- InChIKey
- HXPCJQSXXOOILM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC(=O)CN4C(=O)n5nc(CCn2nc(C)cc2(C))nc5(c3ccccc34)
- Standard InChI
- InChI=1S/C25H25N7O2/c1-16-7-6-8-19(13-16)26-23(33)15-30-21-10-5-4-9-20(21)24-27-22(29-32(24)25(30)34)11-12-31-18(3)14-17(2)28-31/h4-10,13-14H,11-12,15H2,1-3H3,(H,26,33)
- Stored Murcko scaffold
- n1cccn1CCc2nc3-c4ccccc4N([CH]n3n2)C[CH]Nc5ccccc5
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
- 7
- 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
- 97.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 455.513 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.947
- 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 · 4252002