Molecule card · MolClass #37195
4265212
4265212: 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
- 4265212Mitochondrial Fusion · compound_name
- MolClass ID
- 37195
- InChIKey
- LWWVUFZFJIKOCX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccn3c(c1)nnc3(c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C12H8ClN3/c13-10-6-4-9(5-7-10)12-15-14-11-3-1-2-8-16(11)12/h1-8H
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3ccccc13
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 30.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.665 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.347
- 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 · 4265212