Molecule card · MolClass #41236
7965385
7965385: 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
- 7965385Mitochondrial Fusion · compound_name
- MolClass ID
- 41236
- InChIKey
- ZVYHASNVVOEEEY-UHFFFAOYSA-N
- Canonical SMILES
- CCSc2nnc3c4ccccc4(NC1(CCCC1)Oc3(n2))
- Standard InChI
- InChI=1S/C16H18N4OS/c1-2-22-15-17-14-13(19-20-15)11-7-3-4-8-12(11)18-16(21-14)9-5-6-10-16/h3-4,7-8,18H,2,5-6,9-10H2,1H3
- Stored Murcko scaffold
- n1nc-2c(nc1)OC3(Nc4ccccc24)CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.586
- 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 · 7965385