Molecule card · MolClass #47918
24830145
24830145: 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
- 24830145Mitochondrial Fusion · compound_name
- MolClass ID
- 47918
- InChIKey
- ACAWPCWQBCSFLY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(c(NC(=O)CN1CCNC(=O)C1)c2Cl)Cl
- Standard InChI
- InChI=1S/C13H15Cl2N3O2/c1-8-2-3-9(14)13(12(8)15)17-11(20)7-18-5-4-16-10(19)6-18/h2-3H,4-7H2,1H3,(H,16,19)(H,17,20)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CN2C[CH]NCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.183 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.233
- 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 · 24830145