Molecule card · MolClass #43813
24810103
24810103: 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
- 24810103Mitochondrial Fusion · compound_name
- MolClass ID
- 43813
- InChIKey
- YPEVEJHFALYOKF-UHFFFAOYSA-N
- Canonical SMILES
- OC3(C#CCCN1CCCCC1)(c4ccccc4(c2ccccc23))
- Standard InChI
- InChI=1S/C22H23NO/c24-22(14-6-9-17-23-15-7-1-8-16-23)20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h2-5,10-13,24H,1,7-9,15-17H2
- Stored Murcko scaffold
- C(#CC1c2ccccc2-c3ccccc31)CCN4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.164
- 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 · 24810103