Molecule card · MolClass #43769
14724373
14724373: 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
- 14724373Mitochondrial Fusion · compound_name
- MolClass ID
- 43769
- InChIKey
- IICOMBXZPLOYOG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n4nc(C)c3C(c2ccc(C)o2)C(C#N)=C(N)Oc34
- Standard InChI
- InChI=1S/C20H18N4O2/c1-11-4-7-14(8-5-11)24-20-17(13(3)23-24)18(15(10-21)19(22)26-20)16-9-6-12(2)25-16/h4-9,18H,22H2,1-3H3
- Stored Murcko scaffold
- n1cc2c(OC=CC2c3occc3)n1-c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.28
- 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 · 14724373