Molecule card · MolClass #40245
7965173
7965173: 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
- 7965173Mitochondrial Fusion · compound_name
- MolClass ID
- 40245
- InChIKey
- KOHAFBWLWQFBFU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2N=C3C=CC(=NN3(C(=O)c12))N4CCCC4
- Standard InChI
- InChI=1S/C15H16N4OS/c1-9-10(2)21-14-13(9)15(20)19-11(16-14)5-6-12(17-19)18-7-3-4-8-18/h5-6H,3-4,7-8H2,1-2H3
- Stored Murcko scaffold
- N=1c2sccc2[CH]N3N=C(C=CC13)N4CCCC4
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
- 5
- 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
- 76.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.273
- 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 · 7965173