Molecule card · MolClass #51851
14725784
14725784: 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
- 14725784Mitochondrial Fusion · compound_name
- MolClass ID
- 51851
- InChIKey
- IZMAPVDOLCBTKI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c3nnc(n3(Cc2ccccc2))S
- Standard InChI
- InChI=1S/C16H15N3S/c1-12-6-5-9-14(10-12)15-17-18-16(20)19(15)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n(c1)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.841
- 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 · 14725784