Molecule card · MolClass #50764
17433668
17433668: 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
- 17433668Mitochondrial Fusion · compound_name
- MolClass ID
- 50764
- InChIKey
- POZDVTALVIEYFZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1)NC(Nc2ccc(c(c2)Cl)Cl)=S)N3CCCC3
- Standard InChI
- InChI=1S/C18H17Cl2N3OS/c19-15-8-7-14(11-16(15)20)22-18(25)21-13-5-3-12(4-6-13)17(24)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H2,21,22,25)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccc(cc2)[CH]N3CCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.554
- 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 · 17433668