Molecule card · MolClass #37325
4263352
4263352: 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
- 4263352Mitochondrial Fusion · compound_name
- MolClass ID
- 37325
- InChIKey
- SCBINQANYKUIDB-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC3=C(CO1)C(N=C(c2ccccc2)N3(CCO))=S)
- Standard InChI
- InChI=1S/C17H20N2O2S/c1-17(2)10-14-13(11-21-17)16(22)18-15(19(14)8-9-20)12-6-4-3-5-7-12/h3-7,20H,8-11H2,1-2H3
- Stored Murcko scaffold
- N=1[CH]C2=C(NC1c3ccccc3)CCOC2
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.
- 863670#31869
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.177
- 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 · 4263352