Molecule card · MolClass #39620
14725136
14725136: 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
- 14725136Mitochondrial Fusion · compound_name
- MolClass ID
- 39620
- InChIKey
- GNCJGOFUGFKPJD-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N2CCSC2(C(=O)NN)
- Standard InChI
- InChI=1S/C11H15N3O2S/c1-16-9-4-2-8(3-5-9)14-6-7-17-11(14)10(15)13-12/h2-5,11H,6-7,12H2,1H3,(H,13,15)
- Stored Murcko scaffold
- S1CN(c2ccccc2)CC1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.946
- 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 · 14725136