Molecule card · MolClass #36765
24817156
24817156: 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
- 24817156Mitochondrial Fusion · compound_name
- MolClass ID
- 36765
- InChIKey
- HEGJFXWVYUUEFP-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(O)=C2CNc3ccccc3(N=C2(C1)))
- Standard InChI
- InChI=1S/C15H18N2O/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13/h3-6,16,18H,7-9H2,1-2H3
- Stored Murcko scaffold
- N=1c2ccccc2NCC3=CCCCC13
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.242
- 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 · 24817156