Molecule card · MolClass #32923
7964910
7964910: 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
- 7964910Antifungal Pump Inhibitors · compound_name7964910Mitochondrial Fusion · compound_name
- MolClass ID
- 32923
- InChIKey
- SEDJGOBAIVRBMG-LYBHJNIJSA-N
- Canonical SMILES
- CC4CCCCC4(NC(=O)c1ccc(cc1)CN=C2C(=O)C(O)=C2N3CCCC3)
- Standard InChI
- InChI=1S/C23H29N3O3/c1-15-6-2-3-7-18(15)25-23(29)17-10-8-16(9-11-17)14-24-19-20(22(28)21(19)27)26-12-4-5-13-26/h8-11,15,18,28H,2-7,12-14H2,1H3,(H,25,29)/b24-19+
- Stored Murcko scaffold
- N(=C1[CH]C=C1N2CCCC2)Cc3ccc(cc3)[CH]NC4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.11
- 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 · 7964910
Mitochondrial Fusion
Dataset #19 · 7964910