Molecule card · MolClass #36162
24818833
24818833: 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
- 24818833Mitochondrial Fusion · compound_name
- MolClass ID
- 36162
- InChIKey
- XITROMIMEXHPLF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc3c(c(C)nn3(c2CCCc12))Cl
- Standard InChI
- InChI=1S/C11H12ClN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3
- Stored Murcko scaffold
- n1cc2c(n3nccc13)CCC2
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.
- 24819767#27397
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.686 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.961
- 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 · 24818833