Molecule card · MolClass #40492
24800206
24800206: 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
- 24800206Mitochondrial Fusion · compound_name
- MolClass ID
- 40492
- InChIKey
- RKTSKYHTIBDQQX-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc2nc(CC1CC1)no2)CC45(CC3CC(CC(C3)C4)C5)
- Standard InChI
- InChI=1S/C19H29N3O/c1-22(11-18-20-17(21-23-18)7-13-2-3-13)12-19-8-14-4-15(9-19)6-16(5-14)10-19/h13-16H,2-12H2,1H3
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CNCC34CC5CC(CC(C5)C3)C4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.872
- 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 · 24800206