Molecule card · MolClass #37312
24835937
24835937: 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
- 24835937Mitochondrial Fusion · compound_name
- MolClass ID
- 37312
- InChIKey
- GZRXZWINOPVBQS-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CC3NC(=O)N(CC1=CC(=O)N2C=CSC2(=N1))C3(=O)
- Standard InChI
- InChI=1S/C14H16N4O3S/c1-8(2)5-10-12(20)18(13(21)16-10)7-9-6-11(19)17-3-4-22-14(17)15-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,21)
- Stored Murcko scaffold
- N1=C2SC=CN2[CH]C=C1CN3[CH]NC[CH]3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.121
- 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 · 24835937