Molecule card · MolClass #49487
24796528
24796528: 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
- 24796528Mitochondrial Fusion · compound_name
- MolClass ID
- 49487
- InChIKey
- RBTNVMZRDIIANW-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)nc(nc3(NCC2CCCO2))c4cccc(c4)Cl
- Standard InChI
- InChI=1S/C19H18ClN3O/c20-14-6-3-5-13(11-14)18-22-17-9-2-1-8-16(17)19(23-18)21-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,22,23)
- Stored Murcko scaffold
- n1c(nc(NCC2OCCC2)c3ccccc13)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.819 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.462
- 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 · 24796528