Molecule card · MolClass #38616
4263477
4263477: 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
- 4263477Mitochondrial Fusion · compound_name
- MolClass ID
- 38616
- InChIKey
- RMDUQNUQMHVRKQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCc3ncc(C(O)c2cccc1ccccc12)n3(C)
- Standard InChI
- InChI=1S/C18H20N2O/c1-3-7-17-19-12-16(20(17)2)18(21)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12,18,21H,3,7H2,1-2H3
- Stored Murcko scaffold
- n1c[nH]c(c1)Cc2cccc3ccccc32
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.
- 847624#41177
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.364
- 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 · 4263477