Molecule card · MolClass #49145
24821598
24821598: 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
- 24821598Mitochondrial Fusion · compound_name
- MolClass ID
- 49145
- InChIKey
- GTVYCMJNPZUHDY-UHFFFAOYSA-N
- Canonical SMILES
- CN2N=C(CC(c1ccc(cc1)Cl)C2(=O))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H14Cl2N2O/c1-21-17(22)15(11-2-6-13(18)7-3-11)10-16(20-21)12-4-8-14(19)9-5-12/h2-9,15H,10H2,1H3
- Stored Murcko scaffold
- [N]1N=C(c2ccccc2)CC([CH]1)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.
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.536
- 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 · 24821598