Molecule card · MolClass #37902
24805846
24805846: 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
- 24805846Mitochondrial Fusion · compound_name
- MolClass ID
- 37902
- InChIKey
- MUHBDIDXVUEIHJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c4ccccc4(N=C3c1ccccc1C(=NN23)Cl)
- Standard InChI
- InChI=1S/C15H8ClN3O/c16-13-9-5-1-2-6-10(9)14-17-12-8-4-3-7-11(12)15(20)19(14)18-13/h1-8H
- Stored Murcko scaffold
- N1=Cc2ccccc2C3=Nc4ccccc4[CH]N13
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.
- 24824226#33808
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.697 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.666
- 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 · 24805846