Molecule card · MolClass #44853
14732705
14732705: 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
- 14732705Mitochondrial Fusion · compound_name
- MolClass ID
- 44853
- InChIKey
- GEBSQEBQKCCCFD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))NC=2C=NN(C(=O)C=2Cl)C45(CC3CC(CC(CC(=O)O)(C3)C4)C5)
- Standard InChI
- InChI=1S/C24H28ClN3O3/c1-14-3-4-18(5-15(14)2)27-19-12-26-28(22(31)21(19)25)24-9-16-6-17(10-24)8-23(7-16,13-24)11-20(29)30/h3-5,12,16-17,27H,6-11,13H2,1-2H3,(H,29,30)
- Stored Murcko scaffold
- N1=CC(=C[CH]N1C23CC4CC(CC(C4)C2)C3)Nc5ccccc5
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 441.951 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.576
- 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 · 14732705