Molecule card · MolClass #45215
14735208
14735208: 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
- 14735208Mitochondrial Fusion · compound_name
- MolClass ID
- 45215
- InChIKey
- LBCBQGSDTFMJOD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1cc(no1)C(=O)Nc3cc(C)n(Cc2ccc(cc2)Cl)n3
- Standard InChI
- InChI=1S/C18H19ClN4O2/c1-11(2)16-9-15(22-25-16)18(24)20-17-8-12(3)23(21-17)10-13-4-6-14(19)7-5-13/h4-9,11H,10H2,1-3H3,(H,20,21,24)
- Stored Murcko scaffold
- n1occc1[CH]Nc2nn(cc2)Cc3ccccc3
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
- 3
- 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
- 72.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.823 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.883
- 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 · 14735208