Molecule card · MolClass #51678
14732006
14732006: 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
- 14732006Mitochondrial Fusion · compound_name
- MolClass ID
- 51678
- InChIKey
- WTYPTWTYRSIYOG-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CCNc2ncnc3c2c(cs3)C4COc5ccccc5(O4)
- Standard InChI
- InChI=1S/C22H19N3O2S/c1-2-6-15(7-3-1)10-11-23-21-20-16(13-28-22(20)25-14-24-21)19-12-26-17-8-4-5-9-18(17)27-19/h1-9,13-14,19H,10-12H2,(H,23,24,25)
- Stored Murcko scaffold
- n1cnc(NCCc2ccccc2)c3c1scc3C4Oc5ccccc5OC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.472 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.955
- 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 · 14732006