Molecule card · MolClass #36174
24781269
24781269: 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
- 24781269Mitochondrial Fusion · compound_name
- MolClass ID
- 36174
- InChIKey
- LHSGEUXVJGRPCN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N3CCN(Cc1cc(F)ccc1n2cccn2)CC3(CCO)
- Standard InChI
- InChI=1S/C19H27FN4O/c1-15(2)23-10-9-22(14-18(23)6-11-25)13-16-12-17(20)4-5-19(16)24-8-3-7-21-24/h3-5,7-8,12,15,18,25H,6,9-11,13-14H2,1-2H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2CN3CCNCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.287
- 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 · 24781269