Molecule card · MolClass #38515
14737443
14737443: 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
- 14737443Mitochondrial Fusion · compound_name
- MolClass ID
- 38515
- InChIKey
- APWMOWABPJKXTE-CAPFRKAQSA-N
- Canonical SMILES
- COc1cc2CCN3CC(CC(C)C)C(CC3(c2(cc1(OC))))=NO
- Standard InChI
- InChI=1S/C19H28N2O3/c1-12(2)7-14-11-21-6-5-13-8-18(23-3)19(24-4)9-15(13)17(21)10-16(14)20-22/h8-9,12,14,17,22H,5-7,10-11H2,1-4H3/b20-16+
- Stored Murcko scaffold
- c1ccc2c(c1)CCN3CC[CH]CC23
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.
- 104234203#25104
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 54.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.891
- 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 · 14737443