Molecule card · MolClass #43797
16952431
16952431: 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
- 16952431Mitochondrial Fusion · compound_name
- MolClass ID
- 43797
- InChIKey
- OJTVSEDPPHPOJS-UHFFFAOYSA-N
- Canonical SMILES
- Cc3noc4N=C1CC(C)(C)CC(O)=C1C(c2ccc(cc2)N(C)C)c34
- Standard InChI
- InChI=1S/C21H25N3O2/c1-12-17-18(13-6-8-14(9-7-13)24(4)5)19-15(22-20(17)26-23-12)10-21(2,3)11-16(19)25/h6-9,18,25H,10-11H2,1-5H3
- Stored Murcko scaffold
- n1oc2N=C3C(=CCCC3)C(c4ccccc4)c2c1
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.
- 14746567#29219
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.108
- 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 · 16952431