Molecule card · MolClass #38276
14740774
14740774: 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
- 14740774Mitochondrial Fusion · compound_name
- MolClass ID
- 38276
- InChIKey
- ATHVTSCOBPGKOI-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN1CNC(N(C1)c2cc(C)ccc2(C))=S
- Standard InChI
- InChI=1S/C15H23N3S/c1-4-5-8-17-10-16-15(19)18(11-17)14-9-12(2)6-7-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,16,19)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]NCNC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.304
- 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 · 14740774