Molecule card · MolClass #49351
24811029
24811029: 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
- 24811029Mitochondrial Fusion · compound_name
- MolClass ID
- 49351
- InChIKey
- NTQGEZJOMVFLMK-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(c1ccccc1)N(C)C(CC2(O)c3ccc(F)cc3)c4ccccc4
- Standard InChI
- InChI=1S/C25H26FNO/c1-18-24(20-11-7-4-8-12-20)27(2)23(19-9-5-3-6-10-19)17-25(18,28)21-13-15-22(26)16-14-21/h3-16,18,23-24,28H,17H2,1-2H3
- 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.
- 24805222#49406
- 14724231#51879
- 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
- 375.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.444
- 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 · 24811029