Molecule card · MolClass #38076
7964665
7964665: 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
- 7964665Mitochondrial Fusion · compound_name
- MolClass ID
- 38076
- InChIKey
- CWYDCRJQKAYFQB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCc2(n1))Nc3cc(no3)c4cccc(c4)Cl
- Standard InChI
- InChI=1S/C18H17ClN4O2/c19-14-6-3-5-12(8-14)16-9-18(25-22-16)20-17(24)11-23-10-13-4-1-2-7-15(13)21-23/h3,5-6,8-10H,1-2,4,7,11H2,(H,20,24)
- Stored Murcko scaffold
- n1oc(cc1-c2ccccc2)N[CH]Cn3nc4c(c3)CCCC4
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.
No other molecules currently have this stored scaffold.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.964
- 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 · 7964665