Molecule card · MolClass #47191
24822032
24822032: 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
- 24822032Mitochondrial Fusion · compound_name
- MolClass ID
- 47191
- InChIKey
- UZAJNUKWJKIJBU-UHFFFAOYSA-N
- Canonical SMILES
- N#CC4=C(N)OC=2c1ccccc1SC(=O)C=2C4(c3cccnc3)
- Standard InChI
- InChI=1S/C18H11N3O2S/c19-8-12-14(10-4-3-7-21-9-10)15-16(23-17(12)20)11-5-1-2-6-13(11)24-18(15)22/h1-7,9,14H,20H2
- Stored Murcko scaffold
- n1cccc(c1)C2C=COC=3c4ccccc4S[CH]C32
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.024
- 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 · 24822032