Molecule card · MolClass #43401
24840838
24840838: 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
- 24840838Mitochondrial Fusion · compound_name
- MolClass ID
- 43401
- InChIKey
- RJZQXZPRWWWLFS-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)CCN3C(=O)Cn2c(C)c(C)c1cccc3(c12)
- Standard InChI
- InChI=1S/C18H25N3O/c1-5-19(6-2)10-11-20-16-9-7-8-15-13(3)14(4)21(18(15)16)12-17(20)22/h7-9H,5-6,10-12H2,1-4H3
- Stored Murcko scaffold
- [N]1[CH]Cn2ccc3cccc1c32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.153
- 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 · 24840838