Molecule card · MolClass #45502
14745936
14745936: 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
- 14745936Mitochondrial Fusion · compound_name
- MolClass ID
- 45502
- InChIKey
- OWDUKYZZXKSFOO-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)N=C3N=C(NC2CCCCC2)c4ccccc34
- Standard InChI
- InChI=1S/C20H27N3/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)20(23-19)22-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2,(H,21,22,23)
- Stored Murcko scaffold
- N=1C(=NC2CCCCC2)c3ccccc3C1NC4CCCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.276
- 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 · 14745936