Molecule card · MolClass #37346
850927
850927: 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
- 850927Mitochondrial Fusion · compound_name
- MolClass ID
- 37346
- InChIKey
- RNZWTILXZREAFD-UHFFFAOYSA-N
- Canonical SMILES
- CCCCn2c(nc1C(=O)N(C)C(=O)Nc12)c3ccccc3
- Standard InChI
- InChI=1S/C16H18N4O2/c1-3-4-10-20-13(11-8-6-5-7-9-11)17-12-14(20)18-16(22)19(2)15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,22)
- Stored Murcko scaffold
- [N]1[CH]Nc2[nH]c(nc2[CH]1)-c3ccccc3
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.
- 859508#37840
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.008
- 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 · 850927