Molecule card · MolClass #35724
3715380
3715380: 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
- 3715380Mitochondrial Fusion · compound_name
- MolClass ID
- 35724
- InChIKey
- HTCPGZWIKPAMQF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2ncn3c(C)nnc3(c12)
- Standard InChI
- InChI=1S/C10H10N4S/c1-5-6(2)15-10-8(5)9-13-12-7(3)14(9)4-11-10/h4H,1-3H3
- Stored Murcko scaffold
- n1nc2c3ccsc3ncn2c1
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.
- 1917692#13049
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 218.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.866
- 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 · 3715380