Molecule card · MolClass #44590
14737811
14737811: 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
- 14737811Mitochondrial Fusion · compound_name
- MolClass ID
- 44590
- InChIKey
- VOGUHDWNNPRBEF-UHFFFAOYSA-N
- Canonical SMILES
- Cc4oc(nc4(Cn3cccc3(C1=NC(CO1)c2ccccc2)))c5ccccc5Cl
- Standard InChI
- InChI=1S/C24H20ClN3O2/c1-16-20(26-23(30-16)18-10-5-6-11-19(18)25)14-28-13-7-12-22(28)24-27-21(15-29-24)17-8-3-2-4-9-17/h2-13,21H,14-15H2,1H3
- Stored Murcko scaffold
- n1c(occ1Cn2cccc2C3=NC(c4ccccc4)CO3)-c5ccccc5
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.
- 3122785#18050
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.888 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.32
- 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 · 14737811