Molecule card · MolClass #39327
856369
856369: 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
- 856369Mitochondrial Fusion · compound_name
- MolClass ID
- 39327
- InChIKey
- LTVGSHXJQJIDCR-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c(N)c(C(=O)c1ccc(cc1)Cl)n3CCCc23
- Standard InChI
- InChI=1S/C15H12ClN3O/c16-10-5-3-9(4-6-10)15(20)14-13(18)11(8-17)12-2-1-7-19(12)14/h3-6H,1-2,7,18H2
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2ccc3n2CCC3
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.
- LOPAC 00994#613
- Ketorolac#9225
- 4265125#38271
- NC(CO)(CO)CO.OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1#153976
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.729 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.104
- 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 · 856369