Molecule card · MolClass #40997
24784755
24784755: 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
- 24784755Mitochondrial Fusion · compound_name
- MolClass ID
- 40997
- InChIKey
- QNIIBMPXWNMFNG-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cn1)C(=O)N2CCCC(C2)C(=O)c3ccc5CCc4cccc3c45
- Standard InChI
- InChI=1S/C24H22N2O3/c27-21-11-9-17(13-25-21)24(29)26-12-2-4-18(14-26)23(28)20-10-8-16-7-6-15-3-1-5-19(20)22(15)16/h1,3,5,8-11,13,18H,2,4,6-7,12,14H2,(H,25,27)
- Stored Murcko scaffold
- n1cccc(c1)[CH]N2CCCC([CH]c3ccc4c5c3cccc5CC4)C2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.124
- 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 · 24784755