Molecule card · MolClass #48544
24813320
24813320: 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
- 24813320Mitochondrial Fusion · compound_name
- MolClass ID
- 48544
- InChIKey
- ZTQWHZCHQRNPHY-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(NC(c1ccccc1)N3(NS(=O)(=O)c2ccccc2))
- Standard InChI
- InChI=1S/C20H17N3O3S/c24-20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)23(20)22-27(25,26)16-11-5-2-6-12-16/h1-14,19,21-22H
- Stored Murcko scaffold
- S(NN1[CH]c2ccccc2NC1c3ccccc3)c4ccccc4
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.
- 24813915#46702
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.559
- 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 · 24813320