Molecule card · MolClass #47621
24817344
24817344: 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
- 24817344Mitochondrial Fusion · compound_name
- MolClass ID
- 47621
- InChIKey
- MLCOGORERKDZTI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2cc3c(N)c4c(C)ccc(C)c4(nc3(nc2(c1)))
- Standard InChI
- InChI=1S/C19H17N3/c1-10-4-7-13-9-14-17(20)16-11(2)5-6-12(3)18(16)22-19(14)21-15(13)8-10/h4-9H,1-3H3,(H2,20,21,22)
- Stored Murcko scaffold
- n1c2nc3ccccc3cc2cc4ccccc14
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.077
- 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 · 24817344