Molecule card · MolClass #43671
24834917
24834917: 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
- 24834917Mitochondrial Fusion · compound_name
- MolClass ID
- 43671
- InChIKey
- TVWOMMUOMALGMM-UHFFFAOYSA-N
- Canonical SMILES
- N#CCN1C(=O)c2ccccc2(N=C1(CCl))
- Standard InChI
- InChI=1S/C11H8ClN3O/c12-7-10-14-9-4-2-1-3-8(9)11(16)15(10)6-5-13/h1-4H,6-7H2
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.654 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.805
- 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 · 24834917