Molecule card · MolClass #48359
24802597
24802597: 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
- 24802597Mitochondrial Fusion · compound_name
- MolClass ID
- 48359
- InChIKey
- TXEVLGXTEJXXDR-BUVRLJJBSA-N
- Canonical SMILES
- CC(=NN2C(=O)c3ccccc3(NC2(c1ccccc1)))c4ccccc4(O)
- Standard InChI
- InChI=1S/C22H19N3O2/c1-15(17-11-6-8-14-20(17)26)24-25-21(16-9-3-2-4-10-16)23-19-13-7-5-12-18(19)22(25)27/h2-14,21,23,26H,1H3/b24-15+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2[CH]c3ccccc3NC2c4ccccc4
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.
- 17409003#34007
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 64.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.049
- 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 · 24802597