Molecule card · MolClass #37880
14743494
14743494: 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
- 14743494Mitochondrial Fusion · compound_name
- MolClass ID
- 37880
- InChIKey
- CUAGTOUAHRLTMT-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(Nc3c1c2CCCc2s3)c4ccc(cc4)Br
- Standard InChI
- InChI=1S/C15H13BrN2OS/c16-9-6-4-8(5-7-9)13-17-14(19)12-10-2-1-3-11(10)20-15(12)18-13/h4-7,13,18H,1-3H2,(H,17,19)
- Stored Murcko scaffold
- s1c2NC(N[CH]c2c3c1CCC3)c4ccccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.111
- 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 · 14743494