Molecule card · MolClass #36704
860034
860034: 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
- 860034Mitochondrial Fusion · compound_name
- MolClass ID
- 36704
- InChIKey
- FXCXWBBKCSNAPQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(N)c(cc1(C))n2cc3C(=O)N(C)C(=O)N(C)c3(c2)
- Standard InChI
- InChI=1S/C16H18N4O2/c1-9-5-12(17)13(6-10(9)2)20-7-11-14(8-20)18(3)16(22)19(4)15(11)21/h5-8H,17H2,1-4H3
- Stored Murcko scaffold
- n1cnc2cn(cc2c1)-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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.891
- 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 · 860034