Molecule card · MolClass #51261
17387415
17387415: 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
- 17387415Mitochondrial Fusion · compound_name
- MolClass ID
- 51261
- InChIKey
- LVYDELZFKNPPPV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NNC(NC(=O)COc2ccccc2)=S
- Standard InChI
- InChI=1S/C17H17N3O3S/c1-12-7-9-13(10-8-12)16(22)19-20-17(24)18-15(21)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22)(H2,18,20,21,24)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N[CH]NN[CH]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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.27
- 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 · 17387415