Molecule card · MolClass #36147
24795712
24795712: 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
- 24795712Mitochondrial Fusion · compound_name
- MolClass ID
- 36147
- InChIKey
- IOSBDCUCLGSGRX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)N2NC1(CCCCC1)NC2=S
- Standard InChI
- InChI=1S/C11H21N3S/c1-10(2,3)14-9(15)12-11(13-14)7-5-4-6-8-11/h13H,4-8H2,1-3H3,(H,12,15)
- Stored Murcko scaffold
- [N]1[CH]NC2(N1)CCCCC2
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.
- 26667075#25717
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.119
- 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 · 24795712