Molecule card · MolClass #39989
860838
860838: 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
- 860838Mitochondrial Fusion · compound_name
- MolClass ID
- 39989
- InChIKey
- HVUWKEZJAGLYTC-UHFFFAOYSA-N
- Canonical SMILES
- Cc4nnc5N(C1CCCCC1)C(=O)c3c2CC(C)(C)OCc2sc3n45
- Standard InChI
- InChI=1S/C19H24N4O2S/c1-11-20-21-18-22(11)17-15(13-9-19(2,3)25-10-14(13)26-17)16(24)23(18)12-7-5-4-6-8-12/h12H,4-10H2,1-3H3
- Stored Murcko scaffold
- n1nc2n(c1)-c3sc4c(c3[CH]N2C5CCCCC5)CCOC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.048
- 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 · 860838