Molecule card · MolClass #51493
14740807
14740807: 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
- 14740807Mitochondrial Fusion · compound_name
- MolClass ID
- 51493
- InChIKey
- GPNTUDAYHULMHB-HSZRJFAPSA-N
- Canonical SMILES
- COc2ccc3ccc1OC5(C=Nc1c3(c2))(N(C)c4ccccc4C5(C)(C))
- Standard InChI
- InChI=1S/C23H22N2O2/c1-22(2)18-7-5-6-8-19(18)25(3)23(22)14-24-21-17-13-16(26-4)11-9-15(17)10-12-20(21)27-23/h5-14H,1-4H3/t23-/m1/s1
- Stored Murcko scaffold
- N1=CC2(Oc3ccc4ccccc4c13)Nc5ccccc5C2
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.
- 14724852#29363
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.958
- 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 · 14740807