Molecule card · MolClass #38326
24824569
24824569: 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
- 24824569Mitochondrial Fusion · compound_name
- MolClass ID
- 38326
- InChIKey
- VTMCCXXROGZXEZ-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cnn2c(N)c(cnc12)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C13H8ClN5/c14-10-3-1-8(2-4-10)11-7-17-13-9(5-15)6-18-19(13)12(11)16/h1-4,6-7H,16H2
- Stored Murcko scaffold
- n1cc(cn2nccc12)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.69 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.653
- 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 · 24824569