Molecule card · MolClass #48760
14730610
14730610: 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
- 14730610Mitochondrial Fusion · compound_name
- MolClass ID
- 48760
- InChIKey
- ZUBVWWQYGHUYKT-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)C(c1ccc(cc1)Cl)c2ccc(nn2)Sc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)
- Stored Murcko scaffold
- n1nc(ccc1Sc2ccccc2)Cc3ccccc3
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.
- 14730611#47038
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.923
- 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 · 14730610