Molecule card · MolClass #48780
14735672
14735672: 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
- 14735672Mitochondrial Fusion · compound_name
- MolClass ID
- 48780
- InChIKey
- GYZWTLMIFYJLLU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN3C(=O)CCC3(C)(C(=O)NCc2cccnc2)
- Standard InChI
- InChI=1S/C20H23N3O2/c1-15-5-7-16(8-6-15)14-23-18(24)9-10-20(23,2)19(25)22-13-17-4-3-11-21-12-17/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,25)
- Stored Murcko scaffold
- n1cccc(c1)CN[CH]C2N([CH]CC2)Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.82
- 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 · 14735672