Molecule card · MolClass #51824
14727317
14727317: 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
- 14727317Mitochondrial Fusion · compound_name
- MolClass ID
- 51824
- InChIKey
- AKQAPNKGLSAYDW-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cc1c(ccn1(C))n3(Cc2cc(C)ccc2(C))
- Standard InChI
- InChI=1S/C19H22N2O2/c1-5-23-19(22)18-11-17-16(8-9-20(17)4)21(18)12-15-10-13(2)6-7-14(15)3/h6-11H,5,12H2,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)Cn2ccc3[nH]ccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.874
- 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 · 14727317