Molecule card · MolClass #36017
24817702
24817702: 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
- 24817702Mitochondrial Fusion · compound_name
- MolClass ID
- 36017
- InChIKey
- TWFWBDZOSUZZIY-JXAWBTAJSA-N
- Canonical SMILES
- CCON=C2CSC3c4ccccc4(C(=O)N3(Cc1c2(ccs1)))
- Standard InChI
- InChI=1S/C17H16N2O2S2/c1-2-21-18-14-10-23-17-12-6-4-3-5-11(12)16(20)19(17)9-15-13(14)7-8-22-15/h3-8,17H,2,9-10H2,1H3/b18-14-
- Stored Murcko scaffold
- s1ccc2[CH]CSC3c4ccccc4[CH]N3Cc12
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.296
- 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 · 24817702