Molecule card · MolClass #52490
848154
848154: 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
- 848154Mitochondrial Fusion · compound_name
- MolClass ID
- 52490
- InChIKey
- RELJWXRMRSZCTN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)c(NC2=NCC(=O)N2(C1CCCCC1))c(C)c3
- Standard InChI
- InChI=1S/C18H25N3O/c1-12-9-13(2)17(14(3)10-12)20-18-19-11-16(22)21(18)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,19,20)
- Stored Murcko scaffold
- N1=C(Nc2ccccc2)N([CH]C1)C3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.231
- 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 · 848154