Molecule card · MolClass #38299
17402688
17402688: 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
- 17402688Mitochondrial Fusion · compound_name
- MolClass ID
- 38299
- InChIKey
- JWVIJFGABQNYIO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N3CCc2c(C)nc(nc23)SC
- Standard InChI
- InChI=1S/C15H17N3S/c1-10-5-4-6-12(9-10)18-8-7-13-11(2)16-15(19-3)17-14(13)18/h4-6,9H,7-8H2,1-3H3
- Stored Murcko scaffold
- n1cnc2c(c1)CCN2c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.781
- 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 · 17402688