Molecule card · MolClass #38898
14739653
14739653: 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
- 14739653Mitochondrial Fusion · compound_name
- MolClass ID
- 38898
- InChIKey
- YNEUIPVIYCOYII-UHFFFAOYSA-N
- Canonical SMILES
- CCC2=NC(c1ccc(cc1)OC)N(O)C2(C)(C)
- Standard InChI
- InChI=1S/C14H20N2O2/c1-5-12-14(2,3)16(17)13(15-12)10-6-8-11(18-4)9-7-10/h6-9,13,17H,5H2,1-4H3
- Stored Murcko scaffold
- N1=CCNC1c2ccccc2
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
- 1
- 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
- 45.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.336
- 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 · 14739653