Molecule card · MolClass #40388
24818959
24818959: 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
- 24818959Mitochondrial Fusion · compound_name
- MolClass ID
- 40388
- InChIKey
- LWAPACCQEPQYJP-UHFFFAOYSA-N
- Canonical SMILES
- OC=3C=CN(Cc1ccncc1)C(=O)C=3(Cc2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C18H15ClN2O2/c19-15-3-1-13(2-4-15)11-16-17(22)7-10-21(18(16)23)12-14-5-8-20-9-6-14/h1-10,22H,11-12H2
- Stored Murcko scaffold
- n1ccc(cc1)CN2C=CC=C([CH]2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.738
- 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 · 24818959