Molecule card · MolClass #36404
859345
859345: 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
- 859345Mitochondrial Fusion · compound_name
- MolClass ID
- 36404
- InChIKey
- ZNMGWIUOIBKCTG-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(C2NC(=O)c3c1CCN(C)Cc1sc3(N2))s4
- Standard InChI
- InChI=1S/C15H17N3OS2/c1-8-3-4-10(20-8)13-16-14(19)12-9-5-6-18(2)7-11(9)21-15(12)17-13/h3-4,13,17H,5-7H2,1-2H3,(H,16,19)
- Stored Murcko scaffold
- s1cccc1C2N[CH]c3c(sc4c3CCNC4)N2
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.759
- 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 · 859345