Molecule card · MolClass #51866
14724669
14724669: 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
- 14724669Mitochondrial Fusion · compound_name
- MolClass ID
- 51866
- InChIKey
- IDPUFKCIPCGYIL-UHFFFAOYSA-N
- Canonical SMILES
- OC(CC1CC14(c2ccccc2c3ncccc34))(c5ccccc5)c6ccccc6
- Standard InChI
- InChI=1S/C28H23NO/c30-28(20-10-3-1-4-11-20,21-12-5-2-6-13-21)19-22-18-27(22)24-15-8-7-14-23(24)26-25(27)16-9-17-29-26/h1-17,22,30H,18-19H2
- Stored Murcko scaffold
- n1cccc2c1-c3ccccc3C24CC4CC(c5ccccc5)c6ccccc6
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.226
- 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 · 14724669