Molecule card · MolClass #44180
24819642
24819642: 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
- 24819642Mitochondrial Fusion · compound_name
- MolClass ID
- 44180
- InChIKey
- IDSAWSMBCNOJIJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3cc(ccc3(N=C(c1ccccc1Cl)N2(O)))Cl
- Standard InChI
- InChI=1S/C14H8Cl2N2O2/c15-8-5-6-12-10(7-8)14(19)18(20)13(17-12)9-3-1-2-4-11(9)16/h1-7,20H
- Stored Murcko scaffold
- n1cc2ccccc2nc1-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.132 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.779
- 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 · 24819642