Molecule card · MolClass #40088
24817566
24817566: 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
- 24817566Mitochondrial Fusion · compound_name
- MolClass ID
- 40088
- InChIKey
- RPZOCZJKTZOSID-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(C)c(c1C(=O)NC(C(=O)O)c2ccccc2)Cl
- Standard InChI
- InChI=1S/C14H14ClN3O3/c1-8-10(12(15)18(2)17-8)13(19)16-11(14(20)21)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H,16,19)(H,20,21)
- Stored Murcko scaffold
- n1cc(c[nH]1)[CH]NCc2ccccc2
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.
- 24818640#39475
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.733 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.476
- 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 · 24817566