Molecule card · MolClass #32507
3714365
3714365: 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
- 3714365Antifungal Pump Inhibitors · compound_name3714365Mitochondrial Fusion · compound_name
- MolClass ID
- 32507
- InChIKey
- SBQQBLGWQCEUEF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2ncnc(c12)Sc5nnc4n5(c3ccccc3s4)
- Standard InChI
- InChI=1S/C16H11N5S3/c1-8-9(2)22-13-12(8)14(18-7-17-13)24-16-20-19-15-21(16)10-5-3-4-6-11(10)23-15/h3-7H,1-2H3
- Stored Murcko scaffold
- n1nc2sc3ccccc3n2c1Sc4ncnc5sccc54
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.999
- 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 · 3714365
Mitochondrial Fusion
Dataset #19 · 3714365