Molecule card · MolClass #37514
24818370
24818370: 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
- 24818370Mitochondrial Fusion · compound_name
- MolClass ID
- 37514
- InChIKey
- DPRMBTOOTZWEFW-UHFFFAOYSA-N
- Canonical SMILES
- Fc1cccc(c1c4nnc3ccc2ccccc2n34)Cl
- Standard InChI
- InChI=1S/C16H9ClFN3/c17-11-5-3-6-12(18)15(11)16-20-19-14-9-8-10-4-1-2-7-13(10)21(14)16/h1-9H
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3c1ccc4ccccc43
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.
- 1983105#16752
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
- 297.715 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.863
- 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 · 24818370