Molecule card · MolClass #37748
4255541
4255541: 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
- 4255541Mitochondrial Fusion · compound_name
- MolClass ID
- 37748
- InChIKey
- FQWGXGDTSORMGU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3N=C1CC(C)(C)CC(O)=C1C5(Nc3(cc2(C)))(C(=O)Nc4ccccc45)
- Standard InChI
- InChI=1S/C24H25N3O2/c1-13-9-17-18(10-14(13)2)27-24(15-7-5-6-8-16(15)26-22(24)29)21-19(25-17)11-23(3,4)12-20(21)28/h5-10,27-28H,11-12H2,1-4H3,(H,26,29)
- Stored Murcko scaffold
- N=1c2ccccc2NC3([CH]Nc4ccccc43)C5=CCCCC15
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.093
- 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 · 4255541