Molecule card · MolClass #13463
1920291
1920291: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 22414775Mitochondrial Fusion · compound_name
- MolClass ID
- 13463
- InChIKey
- JFUFOHQSLUKCSH-NJNXFGOHSA-N
- Canonical SMILES
- CN4CCC3C(N=C2CCCN2(Cc1ccccc1))c5ccccc5(NC34)
- Standard InChI
- InChI=1S/C23H24N4/c1-26-15-13-19-22(18-10-5-6-11-20(18)24-23(19)26)25-21-12-7-14-27(21)16-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3/b25-21+
- Stored Murcko scaffold
- n1c2ccccc2c(N=C3N(Cc4ccccc4)CCC3)c5c1NCC5
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.593
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1920291
Mitochondrial Fusion
Dataset #19 · 22414775