Molecule card · MolClass #39633
7973066
7973066: 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
- 7973066Mitochondrial Fusion · compound_name
- MolClass ID
- 39633
- InChIKey
- JDTMDJFBCTYRPL-UHFFFAOYSA-N
- Canonical SMILES
- CC1C(C#N)=C(N)OC=2CC(C)(C)CC(=O)C1=2
- Standard InChI
- InChI=1S/C13H16N2O2/c1-7-8(6-14)12(15)17-10-5-13(2,3)4-9(16)11(7)10/h7H,4-5,15H2,1-3H3
- Stored Murcko scaffold
- O1C=CCC=2[CH]CCCC12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.292
- 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 · 7973066