Molecule card · MolClass #45955
24785854
24785854: 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
- 24785854Mitochondrial Fusion · compound_name
- MolClass ID
- 45955
- InChIKey
- VWESHPGKQNJWKQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NC(=O)CC2NCCNC2(=O)
- Standard InChI
- InChI=1S/C13H16ClN3O2/c1-8-2-3-9(6-10(8)14)17-12(18)7-11-13(19)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,19)(H,17,18)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CC2[CH]NCCN2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.738 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.491
- 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 · 24785854