Molecule card · MolClass #38208
7977073
7977073: 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
- 7977073Mitochondrial Fusion · compound_name
- MolClass ID
- 38208
- InChIKey
- KQCUNKCNFHPXIO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc4n1c2c(c(C)c(C)s2)C(=O)N4(c3ccccc3)
- Standard InChI
- InChI=1S/C16H14N4OS/c1-9-10(2)22-15-13(9)14(21)20(12-7-5-4-6-8-12)16-18-17-11(3)19(15)16/h4-8H,1-3H3
- Stored Murcko scaffold
- n1nc2n(c1)-c3sccc3[CH]N2c4ccccc4
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
- 4
- 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
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.611
- 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 · 7977073