Molecule card · MolClass #17616
1985607
1985607: 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
- 7972308Mitochondrial Fusion · compound_name
- MolClass ID
- 17616
- InChIKey
- HXPQZFHBZKGUEF-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)c3c(cn(C1CCCCC1)c3(c2ccccc2))N(C)C4(=O)
- Standard InChI
- InChI=1S/C20H23N3O2/c1-21-16-13-23(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)17(16)19(24)22(2)20(21)25/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2c3[CH]N[CH]Nc3cn2C4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.224
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1985607
Mitochondrial Fusion
Dataset #19 · 7972308