Molecule card · MolClass #39363
24799563
24799563: 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
- 24799563Mitochondrial Fusion · compound_name
- MolClass ID
- 39363
- InChIKey
- OZNRBUQKSDONLU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccn5c(c1)nc(C(=O)N2CCCCCC2)c5(CNCC4OCCc3ccccc34)
- Standard InChI
- InChI=1S/C26H32N4O2/c1-19-10-14-30-22(17-27-18-23-21-9-5-4-8-20(21)11-15-32-23)25(28-24(30)16-19)26(31)29-12-6-2-3-7-13-29/h4-5,8-10,14,16,23,27H,2-3,6-7,11-13,15,17-18H2,1H3
- Stored Murcko scaffold
- n1c([CH]N2CCCCCC2)c(n3ccccc13)CNCC4OCCc5ccccc54
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.559 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.209
- 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 · 24799563