Molecule card · MolClass #46903
24829008
24829008: 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
- 24829008Mitochondrial Fusion · compound_name
- MolClass ID
- 46903
- InChIKey
- WIFXGNNGEACWED-CIAFOILYSA-N
- Canonical SMILES
- COC(=O)N=CC2=C(NCc1ccccc1)N=C3C(C)=CC=CN3(C2(=O))
- Standard InChI
- InChI=1S/C19H18N4O3/c1-13-7-6-10-23-17(13)22-16(20-11-14-8-4-3-5-9-14)15(18(23)24)12-21-19(25)26-2/h3-10,12,20H,11H2,1-2H3/b21-12+
- Stored Murcko scaffold
- N=1C(=C[CH]N2C=CC=CC12)NCc3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.385
- 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 · 24829008