Molecule card · MolClass #39990
24831152
24831152: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24831152Mitochondrial Fusion · compound_name
- MolClass ID
- 39990
- InChIKey
- QNNJJTHTFXIHSG-UHFFFAOYSA-N
- Canonical SMILES
- N=C5c1c(cc(O)n2c3ccccc3(nc12))CN5(CCN4CCOCC4)
- Standard InChI
- InChI=1S/C19H21N5O2/c20-18-17-13(12-23(18)6-5-22-7-9-26-10-8-22)11-16(25)24-15-4-2-1-3-14(15)21-19(17)24/h1-4,11,20,25H,5-10,12H2
- Stored Murcko scaffold
- n1c2ccccc2n3ccc4c([CH]N(C4)CCN5CCOCC5)c13
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.507
- 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.
Mitochondrial Fusion
Dataset #19 · 24831152