Molecule card · MolClass #42682
7973371
7973371: 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
- 7973371Mitochondrial Fusion · compound_name
- MolClass ID
- 42682
- InChIKey
- WOQHBGASMYHOTP-UHFFFAOYSA-N
- Canonical SMILES
- CC(CC2C(C#N)=C(N)OC=1CCCC(=O)C=12)c3ccccc3
- Standard InChI
- InChI=1S/C19H20N2O2/c1-12(13-6-3-2-4-7-13)10-14-15(11-20)19(21)23-17-9-5-8-16(22)18(14)17/h2-4,6-7,12,14H,5,8-10,21H2,1H3
- Stored Murcko scaffold
- O1C=CC(C=2[CH]CCCC12)CCc3ccccc3
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.
- 846639#43992
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.696
- 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 · 7973371