Molecule card · MolClass #40719
24810156
24810156: 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
- 24810156Mitochondrial Fusion · compound_name
- MolClass ID
- 40719
- InChIKey
- GHIVHFZSJHEBBI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C[N+]2(CC#Cc1ccccc1)(CCOCC2))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C21H21ClNO2/c22-20-10-8-19(9-11-20)21(24)17-23(13-15-25-16-14-23)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,12-17H2/q+1
- Stored Murcko scaffold
- C(#CC[N+]1(C[CH]c2ccccc2)CCOCC1)c3ccccc3
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.
- 24810698#39696
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.851 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.825
- 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 · 24810156