Molecule card · MolClass #39760
22410191
22410191: 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
- 22410191Mitochondrial Fusion · compound_name
- MolClass ID
- 39760
- InChIKey
- OTGZSSWDGWKZSQ-UHFFFAOYSA-N
- Canonical SMILES
- CCC1CCCCN1c3nc4c(C=O)c(C)nn4(c2ccccc23)
- Standard InChI
- InChI=1S/C19H22N4O/c1-3-14-8-6-7-11-22(14)18-15-9-4-5-10-17(15)23-19(20-18)16(12-24)13(2)21-23/h4-5,9-10,12,14H,3,6-8,11H2,1-2H3
- Stored Murcko scaffold
- n1ccc2nc(c3ccccc3n12)N4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.428
- 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 · 22410191