Molecule card · MolClass #39998
14737377
14737377: 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
- 14737377Mitochondrial Fusion · compound_name
- MolClass ID
- 39998
- InChIKey
- ZPGPTWHKZBMVBI-UHFFFAOYSA-N
- Canonical SMILES
- CCC(=O)N3c4ccccc4(N=C1CCCC(O)=C1C3(c2ccccc2))
- Standard InChI
- InChI=1S/C22H22N2O2/c1-2-20(26)24-18-13-7-6-11-16(18)23-17-12-8-14-19(25)21(17)22(24)15-9-4-3-5-10-15/h3-7,9-11,13,22,25H,2,8,12,14H2,1H3
- Stored Murcko scaffold
- N=1c2ccccc2[N]C(c3ccccc3)C4=CCCCC14
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.
- 4246764#41680
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.706
- 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 · 14737377