Molecule card · MolClass #51930
14718835
14718835: 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
- 14718835Mitochondrial Fusion · compound_name
- MolClass ID
- 51930
- InChIKey
- OJXDNSYFROETQC-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C2c3cc(ccc3(CCN=C2S))Cl
- Standard InChI
- InChI=1S/C16H14ClNS/c17-13-7-6-11-8-9-18-16(19)15(14(11)10-13)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2,(H,18,19)
- Stored Murcko scaffold
- N1=CC(c2ccccc2)c3ccccc3CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.809 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.209
- 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 · 14718835