Molecule card · MolClass #13483
1346624
1346624: 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
- 14725117Mitochondrial Fusion · compound_name
- MolClass ID
- 13483
- InChIKey
- OVCCKTVJNGWECO-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)c2ccc3c(c2)c5CCCC4=NCCn3c45
- Standard InChI
- InChI=1S/C20H24N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14H,1-8,11-12H2
- Stored Murcko scaffold
- N1=C2c3c(c4cc(ccc4n3CC1)C5CCCCC5)CCC2
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
- 1
- 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
- 17.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.382
- 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 · 1346624
Mitochondrial Fusion
Dataset #19 · 14725117