Molecule card · MolClass #45747
22405233
22405233: 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
- 22405233Mitochondrial Fusion · compound_name
- MolClass ID
- 45747
- InChIKey
- FSOSHAHHKRBKOE-UHFFFAOYSA-N
- Canonical SMILES
- C=CCNC1=NN=C(CS1)c2cc(C)n(CCOC)c2(C)
- Standard InChI
- InChI=1S/C15H22N4OS/c1-5-6-16-15-18-17-14(10-21-15)13-9-11(2)19(12(13)3)7-8-20-4/h5,9H,1,6-8,10H2,2-4H3,(H,16,18)
- Stored Murcko scaffold
- N=1N=C(c2cc[nH]c2)CSC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.8
- 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 · 22405233