Molecule card · MolClass #36762
24797044
24797044: 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
- 24797044Mitochondrial Fusion · compound_name
- MolClass ID
- 36762
- InChIKey
- LXTBQDBMCZEHIV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c3nnc(c2ccccc23)Cl
- Standard InChI
- InChI=1S/C13H11ClN4/c1-8-7-9(2)18(17-8)13-11-6-4-3-5-10(11)12(14)15-16-13/h3-7H,1-2H3
- Stored Murcko scaffold
- n1nc(c2ccccc2c1)-n3nccc3
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.
- 846068#33275
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.707 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.203
- 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 · 24797044