Molecule card · MolClass #47192
24822016
24822016: 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
- 24822016Mitochondrial Fusion · compound_name
- MolClass ID
- 47192
- InChIKey
- KINOPULJRXTHEP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)c3c(N)nc(Nc2ccc(F)c(c2)Cl)s3
- Standard InChI
- InChI=1S/C14H11ClFN5O2S/c1-6-4-10(21-23-6)19-13(22)11-12(17)20-14(24-11)18-7-2-3-9(16)8(15)5-7/h2-5H,17H2,1H3,(H,18,20)(H,19,21,22)
- Stored Murcko scaffold
- n1occc1N[CH]c2sc(nc2)Nc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.787 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.563
- 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 · 24822016