Molecule card · MolClass #41691
17514265
17514265: 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
- 17514265Mitochondrial Fusion · compound_name
- MolClass ID
- 41691
- InChIKey
- GTWUZVQDPNOECL-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)N3N=C(CC3(c1ccc2nccnc2(c1)))c4ccccc4
- Standard InChI
- InChI=1S/C19H18N4O2S/c1-2-26(24,25)23-19(13-17(22-23)14-6-4-3-5-7-14)15-8-9-16-18(12-15)21-11-10-20-16/h3-12,19H,2,13H2,1H3
- Stored Murcko scaffold
- n1ccnc2cc(ccc12)C3NN=C(c4ccccc4)C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.915
- 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 · 17514265