Molecule card · MolClass #40442
24780334
24780334: 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
- 24780334Mitochondrial Fusion · compound_name
- MolClass ID
- 40442
- InChIKey
- QIDLVEPHZGZDJI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N2CCN(CC2(CCO))C3CCCC3
- Standard InChI
- InChI=1S/C19H37N3O/c1-16(2)20-10-7-18(8-11-20)22-13-12-21(15-19(22)9-14-23)17-5-3-4-6-17/h16-19,23H,3-15H2,1-2H3
- Stored Murcko scaffold
- N1CCC(N2CCN(CC2)C3CCCC3)CC1
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.93
- 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 · 24780334