Molecule card · MolClass #41071
7972693
7972693: 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
- 7972693Mitochondrial Fusion · compound_name
- MolClass ID
- 41071
- InChIKey
- VCFQUELPHGNCFO-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3=C(N)OC=1CCCC(=O)C=1C3(C2CC=CCC2)
- Standard InChI
- InChI=1S/C16H18N2O2/c17-9-11-14(10-5-2-1-3-6-10)15-12(19)7-4-8-13(15)20-16(11)18/h1-2,10,14H,3-8,18H2
- Stored Murcko scaffold
- O1C=CC(C=2[CH]CCCC12)C3CC=CCC3
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.
- 4261959#43737
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.106
- 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 · 7972693