Molecule card · MolClass #51452
14743370
14743370: 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
- 14743370Mitochondrial Fusion · compound_name
- MolClass ID
- 51452
- InChIKey
- WJGHFXLZOYGTCR-UHFFFAOYSA-N
- Canonical SMILES
- Cn3c(CN1CCCCC1)nc2cc(ccc23)NC(=O)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C21H23ClN4O/c1-25-19-10-9-17(23-21(27)15-5-7-16(22)8-6-15)13-18(19)24-20(25)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)
- Stored Murcko scaffold
- n1c2cc(ccc2[nH]c1CN3CCCCC3)N[CH]c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.887 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.839
- 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 · 14743370