Molecule card · MolClass #48434
4254493
4254493: 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
- 4254493Mitochondrial Fusion · compound_name
- MolClass ID
- 48434
- InChIKey
- ZXZMZLQXOSHACE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(c(C)c3(CN1C(=O)c2ccccc2(C1(=O))))C(=O)N4CCCCC4
- Standard InChI
- InChI=1S/C20H22N4O3/c1-13-17(12-23-18(25)15-8-4-5-9-16(15)19(23)26)14(2)24(21-13)20(27)22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3
- Stored Murcko scaffold
- n1cc(cn1[CH]N2CCCCC2)Cn3cc4ccccc4c3
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
- 6
- 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
- 75.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.199
- 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 · 4254493