Molecule card · MolClass #51467
14741496
14741496: 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
- 14741496Mitochondrial Fusion · compound_name
- MolClass ID
- 51467
- InChIKey
- RHILRVWOEPWGFF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2=NN(C(C)=O)C(O2)c3ccc(cc3)C(C)C
- Standard InChI
- InChI=1S/C20H22N2O2/c1-13(2)16-9-11-18(12-10-16)20-22(15(4)23)21-19(24-20)17-7-5-14(3)6-8-17/h5-13,20H,1-4H3
- Stored Murcko scaffold
- N=1[N]C(OC1c2ccccc2)c3ccccc3
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.
- 24801384#49457
- 24789407#49648
- 14741767#51476
- [O-][N+](=O)c1ccc(C)cc1C1OC(N(N=1)C(C)=O)c1cc(OC)c(OC)c(OC)c1#154176
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.993
- 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 · 14741496