Molecule card · MolClass #46189
24807656
24807656: 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
- 24807656Mitochondrial Fusion · compound_name
- MolClass ID
- 46189
- InChIKey
- MVSGCLHOYSDVDM-UHFFFAOYSA-N
- Canonical SMILES
- N=C(N)NC2=NC(=O)C(Cc1ccccc1)S2
- Standard InChI
- InChI=1S/C11H12N4OS/c12-10(13)15-11-14-9(16)8(17-11)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,12,13,14,15,16)
- Stored Murcko scaffold
- N1=CSC([CH]1)Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.456
- 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 · 24807656