Molecule card · MolClass #32482
14732651
14732651: 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
- 14732651Antifungal Pump Inhibitors · compound_name14732651Mitochondrial Fusion · compound_name
- MolClass ID
- 32482
- InChIKey
- VZZODCGNTWDMEL-UHFFFAOYSA-N
- Canonical SMILES
- Cc5ccccc5(Cn4ccc(NC(=O)c1cnn2C(CC(Nc12)c3ccccc3)C(F)(F)F)n4)
- Standard InChI
- InChI=1S/C25H23F3N6O/c1-16-7-5-6-10-18(16)15-33-12-11-22(32-33)31-24(35)19-14-29-34-21(25(26,27)28)13-20(30-23(19)34)17-8-3-2-4-9-17/h2-12,14,20-21,30H,13,15H2,1H3,(H,31,32,35)
- Stored Murcko scaffold
- n1cc([CH]Nc2nn(cc2)Cc3ccccc3)c4NC(c5ccccc5)CCn14
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 480.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.857
- 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 · 14732651
Mitochondrial Fusion
Dataset #19 · 14732651