Molecule card · MolClass #32934
24800450
24800450: 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
- 24800450Antifungal Pump Inhibitors · compound_name24800450Mitochondrial Fusion · compound_name
- MolClass ID
- 32934
- InChIKey
- GUZLRANSNNKHJX-XZOYJPPVSA-N
- Canonical SMILES
- Cn5cc(C2CC4CN(C1CCCC1)C(=O)C34(CCCN23))c(n5)c6ccccc6
- Standard InChI
- InChI=1S/C24H30N4O/c1-26-16-20(22(25-26)17-8-3-2-4-9-17)21-14-18-15-27(19-10-5-6-11-19)23(29)24(18)12-7-13-28(21)24/h2-4,8-9,16,18-19,21H,5-7,10-15H2,1H3/t18-,21-,24-/m0/s1
- Stored Murcko scaffold
- n1[nH]cc(c1-c2ccccc2)C3N4CCCC54[CH]N(CC5C3)C6CCCC6
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.303
- 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 · 24800450
Mitochondrial Fusion
Dataset #19 · 24800450