Molecule card · MolClass #37072
14737453
14737453: 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
- 14737453Mitochondrial Fusion · compound_name
- MolClass ID
- 37072
- InChIKey
- OBZDBNGLRZQMKD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C3NC(=NC=4C2CCN(CC2)C3=4)S
- Standard InChI
- InChI=1S/C16H19N3S/c1-10-2-4-11(5-3-10)13-15-14(18-16(20)17-13)12-6-8-19(15)9-7-12/h2-5,12-13H,6-9H2,1H3,(H2,17,18,20)
- Stored Murcko scaffold
- N1=CNC(c2ccccc2)C3=C1C4CCN3CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.012
- 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 · 14737453