Molecule card · MolClass #40886
24813011
24813011: 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
- 24813011Mitochondrial Fusion · compound_name
- MolClass ID
- 40886
- InChIKey
- ZXLDEEPNRCDGOZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCn2nnnc2(NCc1c(cccc1Cl)Cl)
- Standard InChI
- InChI=1S/C11H13Cl2N5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17)
- Stored Murcko scaffold
- n1n[nH]c(n1)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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.161 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.083
- 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 · 24813011