Molecule card · MolClass #41619
24817658
24817658: 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
- 24817658Mitochondrial Fusion · compound_name
- MolClass ID
- 41619
- InChIKey
- YMJMPVARIFSETB-UHFFFAOYSA-N
- Canonical SMILES
- Cn3nc(c1ccccc1)c(C(=O)NC(C(=O)O)c2ccccc2)c3Cl
- Standard InChI
- InChI=1S/C19H16ClN3O3/c1-23-17(20)14(15(22-23)12-8-4-2-5-9-12)18(24)21-16(19(25)26)13-10-6-3-7-11-13/h2-11,16H,1H3,(H,21,24)(H,25,26)
- Stored Murcko scaffold
- n1[nH]cc([CH]NCc2ccccc2)c1-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.201
- 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 · 24817658