Molecule card · MolClass #29875
14744624
14744624: 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
- 14744624Antifungal Pump Inhibitors · compound_name14744624Mitochondrial Fusion · compound_name
- MolClass ID
- 29875
- InChIKey
- QUTAZARUFNIFCK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)CN2N=CSC2(=N)
- Standard InChI
- InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)10(15)6-14-11(12)16-7-13-14/h2-5,7,12H,6H2,1H3
- Stored Murcko scaffold
- N1=CS[CH]N1C[CH]c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.82
- 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 · 14744624
Mitochondrial Fusion
Dataset #19 · 14744624