Molecule card · MolClass #48000
14739272
14739272: 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
- 14739272Mitochondrial Fusion · compound_name
- MolClass ID
- 48000
- InChIKey
- DYOVNSICAXABNZ-GZTJUZNOSA-N
- Canonical SMILES
- CC(=NCCCN(C)C)C=1C(=O)c2ccccc2(C=1(O))
- Standard InChI
- InChI=1S/C16H20N2O2/c1-11(17-9-6-10-18(2)3)14-15(19)12-7-4-5-8-13(12)16(14)20/h4-5,7-8,19H,6,9-10H2,1-3H3/b17-11+
- Stored Murcko scaffold
- c1ccc2C=C[CH]c2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.959
- 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 · 14739272