Molecule card · MolClass #50730
17434073
17434073: 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
- 17434073Mitochondrial Fusion · compound_name
- MolClass ID
- 50730
- InChIKey
- HBBRONITQWWMNS-VHXPQNKSSA-N
- Canonical SMILES
- Cc1ccc(cc1)CC4C(=O)N(c2ccccc2)C(=Nc3ccccc3)S4
- Standard InChI
- InChI=1S/C23H20N2OS/c1-17-12-14-18(15-13-17)16-21-22(26)25(20-10-6-3-7-11-20)23(27-21)24-19-8-4-2-5-9-19/h2-15,21H,16H2,1H3/b24-23-
- Stored Murcko scaffold
- N(c1ccccc1)=C2SC([CH]N2c3ccccc3)Cc4ccccc4
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.
- 17505647#35085
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.834
- 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 · 17434073