Molecule card · MolClass #52013
7970262
7970262: 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
- 7970262Mitochondrial Fusion · compound_name
- MolClass ID
- 52013
- InChIKey
- LXOVXPMGSPUYNL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)n3ncc2c(ncnc23)N(C)Cc4ccccc4
- Standard InChI
- InChI=1S/C20H19N5/c1-15-7-6-10-17(11-15)25-20-18(12-23-25)19(21-14-22-20)24(2)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3
- Stored Murcko scaffold
- n1cnc2c(cnn2-c3ccccc3)c1NCc4ccccc4
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.
- 3245339#10054
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.038
- 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 · 7970262