Molecule card · MolClass #40505
14735947
14735947: 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
- 14735947Mitochondrial Fusion · compound_name
- MolClass ID
- 40505
- InChIKey
- SLORYUOBEXZZJA-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC4(CC1)(Nc2ccccc2C(=O)N4(c3ccccc3))
- Standard InChI
- InChI=1S/C20H22N2O/c1-15-11-13-20(14-12-15)21-18-10-6-5-9-17(18)19(23)22(20)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.038
- 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 · 14735947