Molecule card · MolClass #38740
3712448
3712448: 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
- 3712448Mitochondrial Fusion · compound_name
- MolClass ID
- 38740
- InChIKey
- NZPYFPLXCCGDDX-UHFFFAOYSA-N
- Canonical SMILES
- Nc1c(c(cs1)c2ccncc2)Cl
- Standard InChI
- InChI=1S/C9H7ClN2S/c10-8-7(5-13-9(8)11)6-1-3-12-4-2-6/h1-5H,11H2
- Stored Murcko scaffold
- n1ccc(cc1)-c2cscc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.685 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.817
- 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 · 3712448