Molecule card · MolClass #39900
24819635
24819635: 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
- 24819635Mitochondrial Fusion · compound_name
- MolClass ID
- 39900
- InChIKey
- QMKHMCSEHPAUME-LZYBPNLTSA-N
- Canonical SMILES
- Cc2ccc(N=CC1=C(O)C=C(C)OC1(=O))c(C)c2
- Standard InChI
- InChI=1S/C15H15NO3/c1-9-4-5-13(10(2)6-9)16-8-12-14(17)7-11(3)19-15(12)18/h4-8,17H,1-3H3/b16-8+
- Stored Murcko scaffold
- N(=CC=1[CH]OC=CC1)c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.508
- 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 · 24819635