Molecule card · MolClass #51879
14724231
14724231: 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
- 14724231Mitochondrial Fusion · compound_name
- MolClass ID
- 51879
- InChIKey
- XXNRZZXPXAFYRJ-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(c1ccccc1)N(C)C(CC2(O)c3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C25H27NO/c1-19-24(21-14-8-4-9-15-21)26(2)23(20-12-6-3-7-13-20)18-25(19,27)22-16-10-5-11-17-22/h3-17,19,23-24,27H,18H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2NC(c3ccccc3)CC(c4ccccc4)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.
- 24811029#49351
- 24805222#49406
- RJC 03612#80636
- CC(C)C1C(NC(CC1(O)c1ccc(F)cc1)c1ccccc1)c1ccccc1#150954
- COc1ccccc1C1(O)CC(N(C)C(C1)c1ccccc1)c1ccccc1#153301
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.283
- 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 · 14724231