Molecule card · MolClass #38391
24784465
24784465: 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
- 24784465Mitochondrial Fusion · compound_name
- MolClass ID
- 38391
- InChIKey
- IQTTWPFUNXCUON-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(cc(OC)c1(OC))c4nc5N=C2CCCC(O)=C2C(c3ccncc3)n5(n4)
- Standard InChI
- InChI=1S/C23H23N5O4/c1-30-17-11-14(12-18(31-2)21(17)32-3)22-26-23-25-15-5-4-6-16(29)19(15)20(28(23)27-22)13-7-9-24-10-8-13/h7-12,20,29H,4-6H2,1-3H3
- Stored Murcko scaffold
- n1ccc(cc1)C2C3=CCCCC3=Nc4nc(nn42)-c5ccccc5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 433.461 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.968
- 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 · 24784465