Molecule card · MolClass #48089
24798735
24798735: 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
- 24798735Mitochondrial Fusion · compound_name
- MolClass ID
- 48089
- InChIKey
- MYSKFNVIECILFL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC2C(=O)NCCN2(Cc1ccoc1))N(Cc3ccccc3)CC4CCC4
- Standard InChI
- InChI=1S/C23H29N3O3/c27-22(26(15-19-7-4-8-19)14-18-5-2-1-3-6-18)13-21-23(28)24-10-11-25(21)16-20-9-12-29-17-20/h1-3,5-6,9,12,17,19,21H,4,7-8,10-11,13-16H2,(H,24,28)
- Stored Murcko scaffold
- o1ccc(c1)CN2CCN[CH]C2C[CH]N(Cc3ccccc3)CC4CCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.969
- 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 · 24798735