Molecule card · MolClass #50504
17511996
17511996: 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
- 17511996Mitochondrial Fusion · compound_name
- MolClass ID
- 50504
- InChIKey
- RZAGPTGGVIINCF-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)NC(NC(=O)C23(CC1CCC(CC(C1)C2)C3))=S
- Standard InChI
- InChI=1S/C17H28N2OS/c1-16(2,3)19-15(21)18-14(20)17-8-11-4-5-12(9-17)7-13(6-11)10-17/h11-13H,4-10H2,1-3H3,(H2,18,19,20,21)
- Stored Murcko scaffold
- C1CC2CC3CC1CC(C2)C3
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.
- 24786068#49732
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.56
- 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 · 17511996