Molecule card · MolClass #43555
24829628
24829628: 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
- 24829628Mitochondrial Fusion · compound_name
- MolClass ID
- 43555
- InChIKey
- QAVGTRBXXPHVKZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC1=CN=C2C=CC=CN2(C1(=O)))c3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C15H9Cl2N3O2/c16-9-4-5-10(11(17)7-9)14(21)19-12-8-18-13-3-1-2-6-20(13)15(12)22/h1-8H,(H,19,21)
- Stored Murcko scaffold
- N=1C=C([CH]N2C=CC=CC12)N[CH]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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.157 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.554
- 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 · 24829628