Molecule card · MolClass #38938
22415161
22415161: 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
- 22415161Mitochondrial Fusion · compound_name
- MolClass ID
- 38938
- InChIKey
- IUPDPJRJVKUPMI-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(NC1(CCCCC1)N3(N=C2CCCCC2))
- Standard InChI
- InChI=1S/C19H25N3O/c23-18-16-11-5-6-12-17(16)20-19(13-7-2-8-14-19)22(18)21-15-9-3-1-4-10-15/h5-6,11-12,20H,1-4,7-10,13-14H2
- Stored Murcko scaffold
- N(=C1CCCCC1)N2[CH]c3ccccc3NC24CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.485
- 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 · 22415161