Molecule card · MolClass #31851
14743070
14743070: 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
- 14743070Antifungal Pump Inhibitors · compound_name14743070Mitochondrial Fusion · compound_name
- MolClass ID
- 31851
- InChIKey
- TZSVTUMYZPAHHZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(Nc1nc2ccccc2(nc1Cl))n(n3)c4ccccc4(C)
- Standard InChI
- InChI=1S/C19H16ClN5/c1-12-7-3-6-10-16(12)25-17(11-13(2)24-25)23-19-18(20)21-14-8-4-5-9-15(14)22-19/h3-11H,1-2H3,(H,22,23)
- Stored Murcko scaffold
- n1cc(nc2ccccc12)Nc3ccnn3-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.
- 1344398#15515
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
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.817 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.653
- 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 · 14743070
Mitochondrial Fusion
Dataset #19 · 14743070