Molecule card · MolClass #49745
24784265
24784265: 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
- 24784265Mitochondrial Fusion · compound_name
- MolClass ID
- 49745
- InChIKey
- QMGOQBMPMWYBNH-UHFFFAOYSA-N
- Canonical SMILES
- CN2CCN(CC2(c1ccccc1))C(=O)c4cc(COc3c(F)cccc3(F))on4
- Standard InChI
- InChI=1S/C22H21F2N3O3/c1-26-10-11-27(13-20(26)15-6-3-2-4-7-15)22(28)19-12-16(30-25-19)14-29-21-17(23)8-5-9-18(21)24/h2-9,12,20H,10-11,13-14H2,1H3
- Stored Murcko scaffold
- n1oc(cc1[CH]N2CCNC(c3ccccc3)C2)COc4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.622
- 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 · 24784265