Molecule card · MolClass #46083
856925
856925: 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
- 856925Mitochondrial Fusion · compound_name
- MolClass ID
- 46083
- InChIKey
- LBOAJIJRQPHVFH-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(Cc3c(CO1)sc4N=C2CCCN2C(=N)c34)
- Standard InChI
- InChI=1S/C14H17N3OS/c1-14(2)6-8-9(7-18-14)19-13-11(8)12(15)17-5-3-4-10(17)16-13/h15H,3-7H2,1-2H3
- Stored Murcko scaffold
- N=1c2sc3c(c2[CH]N4C1CCC4)CCOC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.129
- 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 · 856925