Molecule card · MolClass #41000
24786305
24786305: 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
- 24786305Mitochondrial Fusion · compound_name
- MolClass ID
- 41000
- InChIKey
- QINKTHYQBYLDPZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC3C(=O)NCCN3(Cc1cccc(c1)Oc2ccccc2))N4CCCO4
- Standard InChI
- InChI=1S/C22H25N3O4/c26-21(25-11-5-13-28-25)15-20-22(27)23-10-12-24(20)16-17-6-4-9-19(14-17)29-18-7-2-1-3-8-18/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,23,27)
- Stored Murcko scaffold
- O(c1ccccc1)c2cccc(c2)CN3CCN[CH]C3C[CH]N4OCCC4
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
- 4
- 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
- 71.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.848
- 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 · 24786305