Molecule card · MolClass #46088
24817478
24817478: 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
- 24817478Mitochondrial Fusion · compound_name
- MolClass ID
- 46088
- InChIKey
- FUJGSHHDTKLZRK-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NNC(=O)c1c(ccs1)OCc2ccc(cc2Cl)Cl)c3ccccn3
- Standard InChI
- InChI=1S/C18H14Cl2N4O2S/c19-12-5-4-11(13(20)9-12)10-26-15-6-8-27-16(15)18(25)24-23-17(21)14-3-1-2-7-22-14/h1-9H,10H2,(H2,21,23)(H,24,25)
- Stored Murcko scaffold
- n1ccccc1[CH]NN[CH]c2sccc2OCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.889
- 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 · 24817478