Molecule card · MolClass #38547
7971889
7971889: 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
- 7971889Mitochondrial Fusion · compound_name
- MolClass ID
- 38547
- InChIKey
- JROMGBIKDMXXBQ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NC(=O)C1CC1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C10H13N3O3/c1-12-7(11-9(15)6-3-4-6)5-8(14)13(2)10(12)16/h5-6H,3-4H2,1-2H3,(H,11,15)
- Stored Murcko scaffold
- n1cnc(cc1)N[CH]C2CC2
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
- 6
- 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
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.229 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.639
- 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 · 7971889