Molecule card · MolClass #38912
14739501
14739501: 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
- 14739501Mitochondrial Fusion · compound_name
- MolClass ID
- 38912
- InChIKey
- GADSISTZCRABPM-DHDCSXOGSA-N
- Canonical SMILES
- CC(=NCc1ccccc1)C2=C(O)OC(C)C2(=O)
- Standard InChI
- InChI=1S/C14H15NO3/c1-9(12-13(16)10(2)18-14(12)17)15-8-11-6-4-3-5-7-11/h3-7,10,17H,8H2,1-2H3/b15-9-
- Stored Murcko scaffold
- N(=CC1=COC[CH]1)Cc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.899
- 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 · 14739501