Molecule card · MolClass #37281
14739527
14739527: 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
- 14739527Mitochondrial Fusion · compound_name
- MolClass ID
- 37281
- InChIKey
- OOALZYFFCGEVRF-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c(C)sc2c3(C(=O)N=C1N2(C(CC(=O)O)=CS1))
- Standard InChI
- InChI=1S/C12H10N2O3S2/c1-5-6(2)19-11-9(5)10(17)13-12-14(11)7(4-18-12)3-8(15)16/h4H,3H2,1-2H3,(H,15,16)
- Stored Murcko scaffold
- N=1[CH]c2ccsc2N3C=CSC13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.847
- 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 · 14739527