Molecule card · MolClass #44141
7967515
7967515: 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
- 7967515Mitochondrial Fusion · compound_name
- MolClass ID
- 44141
- InChIKey
- NEWJHSZFLJTXCP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)C5=CN(C2CCCCC2)C(=O)c4c5(c3ccccc3n4(C))
- Standard InChI
- InChI=1S/C23H24N4O3/c1-14-12-19(25-30-14)24-22(28)17-13-27(15-8-4-3-5-9-15)23(29)21-20(17)16-10-6-7-11-18(16)26(21)2/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,24,25,28)
- Stored Murcko scaffold
- n1occc1N[CH]C2=CN([CH]c3[nH]c4ccccc4c23)C5CCCCC5
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.395
- 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 · 7967515