Molecule card · MolClass #37551
24810239
24810239: 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
- 24810239Mitochondrial Fusion · compound_name
- MolClass ID
- 37551
- InChIKey
- XZRVMGPNLFPJIR-UHFFFAOYSA-N
- Canonical SMILES
- C[N+]1(CCCCC1)CCn3ccc2ccccc23
- Standard InChI
- InChI=1S/C16H23N2/c1-18(12-5-2-6-13-18)14-11-17-10-9-15-7-3-4-8-16(15)17/h3-4,7-10H,2,5-6,11-14H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc2c(c1)ccn2CC[NH+]3CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 4.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.005
- 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 · 24810239