Molecule card · MolClass #40289
16953601
16953601: 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
- 16953601Mitochondrial Fusion · compound_name
- MolClass ID
- 40289
- InChIKey
- RVLAGHGPJIPZKL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2C(C)=CSC2(=N)
- Standard InChI
- InChI=1S/C11H12N2S/c1-8-3-5-10(6-4-8)13-9(2)7-14-11(13)12/h3-7,12H,1-2H3
- Stored Murcko scaffold
- S1C=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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.787
- 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 · 16953601