Molecule card · MolClass #38356
24785057
24785057: 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
- 24785057Mitochondrial Fusion · compound_name
- MolClass ID
- 38356
- InChIKey
- IVTKQCZFZGZYMV-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(cc(c1)OC)CN3CCNC(=O)C3(CC(=O)N2CCCCO2)
- Standard InChI
- InChI=1S/C19H27N3O5/c1-25-15-9-14(10-16(11-15)26-2)13-21-7-5-20-19(24)17(21)12-18(23)22-6-3-4-8-27-22/h9-11,17H,3-8,12-13H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- O1N([CH]CC2[CH]NCCN2Cc3ccccc3)CCCC1
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
- 80.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.555
- 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 · 24785057