Molecule card · MolClass #51520
14739068
14739068: 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
- 14739068Mitochondrial Fusion · compound_name
- MolClass ID
- 51520
- InChIKey
- AFXOCKAAWCCLLF-UHFFFAOYSA-N
- Canonical SMILES
- CCC1(C)(Cc3c(CO1)sc4NC(N(Cc2ccccc2)C(=O)c34)=S)
- Standard InChI
- InChI=1S/C19H20N2O2S2/c1-3-19(2)9-13-14(11-23-19)25-16-15(13)17(22)21(18(24)20-16)10-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- O1Cc2sc3N[CH]N([CH]c3c2CC1)Cc4ccccc4
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.
- 14736111#51560
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
- 101.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.507 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.45
- 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 · 14739068