Molecule card · MolClass #51347
14747167
14747167: 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
- 14747167Mitochondrial Fusion · compound_name
- MolClass ID
- 51347
- InChIKey
- CUWBMKFSJCNQSC-DEDYPNTBSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC=C5C(=O)N(c2ccc3OCOc3(c2))C(=O)c4ccccc45
- Standard InChI
- InChI=1S/C24H18N2O4/c1-15-6-8-16(9-7-15)25-13-20-18-4-2-3-5-19(18)23(27)26(24(20)28)17-10-11-21-22(12-17)30-14-29-21/h2-13,25H,14H2,1H3/b20-13+
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)N3[CH]c4ccccc4C(=CNc5ccccc5)[CH]3
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
- 67.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.34
- 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 · 14747167