Molecule card · MolClass #47955
24818576
24818576: 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
- 24818576Mitochondrial Fusion · compound_name
- MolClass ID
- 47955
- InChIKey
- GZIBEOWLEWTUAY-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CC(=NN1c2ccc(cc2Cl)Cl)c3cccnc3
- Standard InChI
- InChI=1S/C14H9Cl2N3O/c15-10-3-4-13(11(16)6-10)19-14(20)7-12(18-19)9-2-1-5-17-8-9/h1-6,8H,7H2
- Stored Murcko scaffold
- n1cccc(c1)C2=NN([CH]C2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.147 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.191
- 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 · 24818576