Molecule card · MolClass #41900
22414015
22414015: 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
- 22414015Mitochondrial Fusion · compound_name
- MolClass ID
- 41900
- InChIKey
- RWNSYATVVIYQDJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2C(=O)NC(N(C)c2(nc1(C)))=S
- Standard InChI
- InChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15)
- Stored Murcko scaffold
- n1ccnc2[CH]N[CH][N]c12
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.62
- 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 · 22414015