Molecule card · MolClass #50552
17510334
17510334: 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
- 17510334Mitochondrial Fusion · compound_name
- MolClass ID
- 50552
- InChIKey
- AREORXJIVORCRV-LPYMAVHISA-N
- Canonical SMILES
- CSc1ccc(cc1)C=NNC(=O)CNc2ccc3ccccc3(c2)
- Standard InChI
- InChI=1S/C20H19N3OS/c1-25-19-10-6-15(7-11-19)13-22-23-20(24)14-21-18-9-8-16-4-2-3-5-17(16)12-18/h2-13,21H,14H2,1H3,(H,23,24)/b22-13+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N[CH]CNc2ccc3ccccc3c2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.415
- 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 · 17510334