Molecule card · MolClass #32103
24795812
24795812: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24795812Antifungal Pump Inhibitors · compound_name24795812Mitochondrial Fusion · compound_name
- MolClass ID
- 32103
- InChIKey
- VSCAHUFEOQIMGP-UHFFFAOYSA-N
- Canonical SMILES
- O=C4N=C2N(c1ccccc1S2)C(=O)N4(c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C15H8ClN3O2S/c16-9-5-7-10(8-6-9)18-13(20)17-14-19(15(18)21)11-3-1-2-4-12(11)22-14/h1-8H
- Stored Murcko scaffold
- N=1[CH]N([CH]N2C1Sc3ccccc32)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.
- 17401589#45547
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.763 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 24795812
Mitochondrial Fusion
Dataset #19 · 24795812