Molecule card · MolClass #50491
17511133
17511133: 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
- 17511133Mitochondrial Fusion · compound_name
- MolClass ID
- 50491
- InChIKey
- UQAOXCRJDWQXAG-UHFFFAOYSA-N
- Canonical SMILES
- CC2=Nc3ccccc3(N=C(C)C2(=NOCc1ccc(cc1Cl)Cl))
- Standard InChI
- InChI=1S/C18H15Cl2N3O/c1-11-18(12(2)22-17-6-4-3-5-16(17)21-11)23-24-10-13-7-8-14(19)9-15(13)20/h3-9H,10H2,1-2H3
- Stored Murcko scaffold
- N(OCc1ccccc1)=C2C=Nc3ccccc3N=C2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.536
- 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 · 17511133