Molecule card · MolClass #49540
24793404
24793404: 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
- 24793404Mitochondrial Fusion · compound_name
- MolClass ID
- 49540
- InChIKey
- CDGPPGCEYYZDBQ-PCLIKHOPSA-N
- Canonical SMILES
- Oc5ccc(C=NN1CCN(CC1)C3c4ccccc4(c2ccccc23))c(O)c5
- Standard InChI
- InChI=1S/C24H23N3O2/c28-18-10-9-17(23(29)15-18)16-25-27-13-11-26(12-14-27)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24,28-29H,11-14H2/b25-16+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2CCN(CC2)C3c4ccccc4-c5ccccc53
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.443
- 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 · 24793404