Molecule card · MolClass #38136
24781723
24781723: 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
- 24781723Mitochondrial Fusion · compound_name
- MolClass ID
- 38136
- InChIKey
- UXVWSAFMTDXLKB-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(cc(c1)Cl)C2CCN(C2)Cc4nc(CC3CC3)no4
- Standard InChI
- InChI=1S/C17H20ClN3O/c18-15-3-1-2-13(9-15)14-6-7-21(10-14)11-17-19-16(20-22-17)8-12-4-5-12/h1-3,9,12,14H,4-8,10-11H2
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCC(c4ccccc4)C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.814 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.696
- 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 · 24781723