Molecule card · MolClass #48682
24838896
24838896: 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
- 24838896Mitochondrial Fusion · compound_name
- MolClass ID
- 48682
- InChIKey
- ZYCBMPLCNHVPQI-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC1=CC(=O)N2C=CSC2(=N1))Cc3nc(O)c4ccccc4(n3)
- Standard InChI
- InChI=1S/C17H15N5O2S/c1-21(9-11-8-15(23)22-6-7-25-17(22)18-11)10-14-19-13-5-3-2-4-12(13)16(24)20-14/h2-8H,9-10H2,1H3,(H,19,20,24)
- Stored Murcko scaffold
- n1cc2ccccc2nc1CNCC=3N=C4SC=CN4[CH]C3
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
- 107.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.153
- 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 · 24838896