Molecule card · MolClass #45285
24822280
24822280: 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
- 24822280Mitochondrial Fusion · compound_name
- MolClass ID
- 45285
- InChIKey
- HZIHMEUDXCSJHM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)n2cnc(c2)C(=O)NNC(Nc3ccccc3)=S
- Standard InChI
- InChI=1S/C17H16N6OS/c1-12-6-5-9-15(19-12)23-10-14(18-11-23)16(24)21-22-17(25)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)(H2,20,22,25)
- Stored Murcko scaffold
- n1ccccc1-n2cnc([CH]NN[CH]Nc3ccccc3)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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.317
- 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 · 24822280