Molecule card · MolClass #39576
7966099
7966099: 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
- 7966099Mitochondrial Fusion · compound_name
- MolClass ID
- 39576
- InChIKey
- GAPDGVAUSNJJHP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)c2cc(on2)C3CC3
- Standard InChI
- InChI=1S/C11H11N3O3/c1-6-4-10(14-16-6)12-11(15)8-5-9(17-13-8)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,14,15)
- Stored Murcko scaffold
- n1occc1N[CH]c2noc(c2)C3CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.358
- 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 · 7966099