Molecule card · MolClass #44585
17513073
17513073: 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
- 17513073Mitochondrial Fusion · compound_name
- MolClass ID
- 44585
- InChIKey
- OZVJFSDUSSGCSJ-RVDMUPIBSA-N
- Canonical SMILES
- O=C4NC(N(C1CC1)C(=O)C4(=Cc3ccc2c(CCN2(CCCCl))c3))=S
- Standard InChI
- InChI=1S/C19H20ClN3O2S/c20-7-1-8-22-9-6-13-10-12(2-5-16(13)22)11-15-17(24)21-19(26)23(18(15)25)14-3-4-14/h2,5,10-11,14H,1,3-4,6-9H2,(H,21,24,26)/b15-11+
- Stored Murcko scaffold
- c1cc2NCCc2cc1C=C3[CH]N[CH]N([CH]3)C4CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.901 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.926
- 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 · 17513073