Molecule card · MolClass #25651
7973426
7973426: 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
- 7973426Antifungal Pump Inhibitors · compound_name7973426Mitochondrial Fusion · compound_name
- MolClass ID
- 25651
- InChIKey
- CXLYVTYJFJIAGZ-UHFFFAOYSA-N
- Canonical SMILES
- Nc3nc4NC=1CCCCC=1C2(CCCCC2)n4(n3)
- Standard InChI
- InChI=1S/C14H21N5/c15-12-17-13-16-11-7-3-2-6-10(11)14(19(13)18-12)8-4-1-5-9-14/h1-9H2,(H3,15,16,17,18)
- Stored Murcko scaffold
- n1cnn2c1NC3=C(CCCC3)C24CCCCC4
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.
- 1552112#14682
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.351
- 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 · 7973426
Mitochondrial Fusion
Dataset #19 · 7973426