Molecule card · MolClass #38232
24791292
24791292: 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
- 24791292Mitochondrial Fusion · compound_name
- MolClass ID
- 38232
- InChIKey
- FSSMNMJYMDGYBK-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNC1=NC(N(C(C)=C1(C(C)=O))c2ccccc2)=S
- Standard InChI
- InChI=1S/C17H21N3OS/c1-4-5-11-18-16-15(13(3)21)12(2)20(17(22)19-16)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,18,19,22)
- Stored Murcko scaffold
- N1=CC=CN([CH]1)c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.731
- 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 · 24791292