Molecule card · MolClass #41784
14743254
14743254: 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
- 14743254Mitochondrial Fusion · compound_name
- MolClass ID
- 41784
- InChIKey
- MYMSTEVQCASSCP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N4C(N=C(Nc2ccccc2(C))C34(CCOC(C)(C)C3))=S
- Standard InChI
- InChI=1S/C23H27N3OS/c1-16-9-11-18(12-10-16)26-21(28)25-20(24-19-8-6-5-7-17(19)2)23(26)13-14-27-22(3,4)15-23/h5-12H,13-15H2,1-4H3,(H,24,25,28)
- Stored Murcko scaffold
- N=1[CH]N(c2ccccc2)C3(C1Nc4ccccc4)CCOCC3
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.547 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.69
- 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 · 14743254