Molecule card · MolClass #42240
24824485
24824485: 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
- 24824485Mitochondrial Fusion · compound_name
- MolClass ID
- 42240
- InChIKey
- JJZKBDIEKNWMME-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1c(cn2ccccc12)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C15H10ClNO2/c16-11-6-4-10(5-7-11)12-9-17-8-2-1-3-13(17)14(12)15(18)19/h1-9H,(H,18,19)
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccn3c2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.699 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.943
- 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 · 24824485