Molecule card · MolClass #46173
24783516
24783516: 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
- 24783516Mitochondrial Fusion · compound_name
- MolClass ID
- 46173
- InChIKey
- CVBURXPBIHMVKR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC2C(=O)NCCN2(Cc1cccs1)
- Standard InChI
- InChI=1S/C11H14N2O3S/c14-10(15)6-9-11(16)12-3-4-13(9)7-8-2-1-5-17-8/h1-2,5,9H,3-4,6-7H2,(H,12,16)(H,14,15)
- Stored Murcko scaffold
- s1cccc1CN2C[CH]NCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.56
- 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 · 24783516