Molecule card · MolClass #45254
14727443
14727443: 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
- 14727443Mitochondrial Fusion · compound_name
- MolClass ID
- 45254
- InChIKey
- CSEQQWVZCXOADR-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(ccc1(O))C3Nn2c(nnc2S3)c4ccccc4(OC)
- Standard InChI
- InChI=1S/C17H16N4O3S/c1-23-13-6-4-3-5-11(13)15-18-19-17-21(15)20-16(25-17)10-7-8-12(22)14(9-10)24-2/h3-9,16,20,22H,1-2H3
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3NC(Sc13)c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.656
- 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 · 14727443