Molecule card · MolClass #47917
14738967
14738967: 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
- 14738967Mitochondrial Fusion · compound_name
- MolClass ID
- 47917
- InChIKey
- OIPTXZUUEKDUPJ-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(C)(C)NC(N1c2ccc3ccccc3(c2))=S
- Standard InChI
- InChI=1S/C17H18N2S/c1-12-11-17(2,3)18-16(20)19(12)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc2cc(ccc2c1)N3C=CCN[CH]3
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
- 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
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.74
- 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 · 14738967