Molecule card · MolClass #49146
24821655
24821655: 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
- 24821655Mitochondrial Fusion · compound_name
- MolClass ID
- 49146
- InChIKey
- GNXUWYKCQKFROW-XSFVSMFZSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(C)=NNc3cccc2cccnc23
- Standard InChI
- InChI=1S/C18H17N3/c1-13-8-10-15(11-9-13)14(2)20-21-17-7-3-5-16-6-4-12-19-18(16)17/h3-12,21H,1-2H3/b20-14+
- Stored Murcko scaffold
- N(=Cc1ccccc1)Nc2cccc3cccnc32
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.062
- 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 · 24821655