Molecule card · MolClass #35896
865389
865389: 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
- 865389Mitochondrial Fusion · compound_name
- MolClass ID
- 35896
- InChIKey
- YHCTZFGPOHEYLT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c4C(=O)CC(C)(C)Cc4(nc3nc1ccccc1n23)
- Standard InChI
- InChI=1S/C17H17N3O/c1-10-15-12(8-17(2,3)9-14(15)21)19-16-18-11-6-4-5-7-13(11)20(10)16/h4-7H,8-9H2,1-3H3
- Stored Murcko scaffold
- n1c2nc3c(cn2c4ccccc14)[CH]CCC3
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.
- 864812#27353
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.676
- 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 · 865389