Molecule card · MolClass #43224
17509851
17509851: 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
- 17509851Mitochondrial Fusion · compound_name
- MolClass ID
- 43224
- InChIKey
- QYYUNZHXLZYYFZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc5ccccc5(NC(=O)CSc4nc1ccccc1c3nc(CCn2cncc2(C))nn34)
- Standard InChI
- InChI=1S/C24H23N7OS/c1-16-7-3-5-9-19(16)26-22(32)14-33-24-27-20-10-6-4-8-18(20)23-28-21(29-31(23)24)11-12-30-15-25-13-17(30)2/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,32)
- Stored Murcko scaffold
- n1ccn(c1)CCc2nc3c4ccccc4nc(SC[CH]Nc5ccccc5)n3n2
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.
- 17509654#43240
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 457.553 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.239
- 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 · 17509851