Molecule card · MolClass #50958
17414257
17414257: 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
- 17414257Mitochondrial Fusion · compound_name
- MolClass ID
- 50958
- InChIKey
- MUWZYMATJKPWEO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(C)c1Sc2ccc(cc2)Cl)C(=O)C3CC3
- Standard InChI
- InChI=1S/C15H15ClN2OS/c1-9-14(20-13-7-5-12(16)6-8-13)10(2)18(17-9)15(19)11-3-4-11/h5-8,11H,3-4H2,1-2H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)cn1[CH]C3CC3
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.
- 17431967#50833
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.812 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.754
- 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 · 17414257