Molecule card · MolClass #48886
24841743
24841743: 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
- 24841743Mitochondrial Fusion · compound_name
- MolClass ID
- 48886
- InChIKey
- CLKHAOBENXLRAU-QGZVFWFLSA-N
- Canonical SMILES
- CCCCC3CNC(N3(CCc2cccc1ccccc12))=S
- Standard InChI
- InChI=1S/C19H24N2S/c1-2-3-10-17-14-20-19(22)21(17)13-12-16-9-6-8-15-7-4-5-11-18(15)16/h4-9,11,17H,2-3,10,12-14H2,1H3,(H,20,22)/t17-/m1/s1
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2CCN3[CH]NCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.474 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.688
- 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 · 24841743