Molecule card · MolClass #44673
14744232
14744232: 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
- 14744232Mitochondrial Fusion · compound_name
- MolClass ID
- 44673
- InChIKey
- AQUPQSKKPQZNIP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCn1c(C)cc(c1(C))c2csc(N)n2
- Standard InChI
- InChI=1S/C14H21N3S/c1-9(2)5-6-17-10(3)7-12(11(17)4)13-8-18-14(15)16-13/h7-9H,5-6H2,1-4H3,(H2,15,16)
- Stored Murcko scaffold
- n1cscc1-c2cc[nH]c2
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.
- ZINC14102939#23546
- 24825193#33489
- 16952541#40570
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 72.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.39
- 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 · 14744232