Molecule card · MolClass #50603
17507877
17507877: 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
- 17507877Mitochondrial Fusion · compound_name
- MolClass ID
- 50603
- InChIKey
- PXIIQBPQQSIOHT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c2cc(nc1ccccc12)c3ccccc3)N5CCCc4ccccc45
- Standard InChI
- InChI=1S/C25H20N2O/c28-25(27-16-8-12-19-11-4-7-15-24(19)27)21-17-23(18-9-2-1-3-10-18)26-22-14-6-5-13-20(21)22/h1-7,9-11,13-15,17H,8,12,16H2
- Stored Murcko scaffold
- n1c2ccccc2c(cc1-c3ccccc3)[CH]N4c5ccccc5CCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.471
- 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 · 17507877