Molecule card · MolClass #48324
856033
856033: 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
- 856033Mitochondrial Fusion · compound_name
- MolClass ID
- 48324
- InChIKey
- LVVLBIKELLNVEQ-UHFFFAOYSA-N
- Canonical SMILES
- CCC1=Nc3ccccc3(N=C2CCCC(O)=C12)
- Standard InChI
- InChI=1S/C15H16N2O/c1-2-10-15-13(8-5-9-14(15)18)17-12-7-4-3-6-11(12)16-10/h3-4,6-7,18H,2,5,8-9H2,1H3
- Stored Murcko scaffold
- N1=CC2=CCCCC2=Nc3ccccc13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.523
- 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 · 856033