Molecule card · MolClass #39698
863291
863291: 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
- 863291Mitochondrial Fusion · compound_name
- MolClass ID
- 39698
- InChIKey
- SDHIDDVRRLINDA-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(c1ccccc1)n4nc(NC(=O)C2CCCO2)nc4(N3)
- Standard InChI
- InChI=1S/C16H17N5O3/c22-13-9-11(10-5-2-1-3-6-10)21-16(17-13)19-15(20-21)18-14(23)12-7-4-8-24-12/h1-3,5-6,11-12H,4,7-9H2,(H2,17,18,19,20,22,23)
- Stored Murcko scaffold
- n1c(nn2c1N[CH]CC2c3ccccc3)N[CH]C4OCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.811
- 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 · 863291