Molecule card · MolClass #44069
14729762
14729762: 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
- 14729762Mitochondrial Fusion · compound_name
- MolClass ID
- 44069
- InChIKey
- MCXQIHVLMGGFBH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2C=NN(C)C2=S
- Standard InChI
- InChI=1S/C10H11N3S/c1-8-3-5-9(6-4-8)13-7-11-12(2)10(13)14/h3-7H,1-2H3
- Stored Murcko scaffold
- n1ncn(c1)-c2ccccc2
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.
View all molecules with this scaffold →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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.034
- 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 · 14729762