Molecule card · MolClass #42171
24818856
24818856: 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
- 24818856Mitochondrial Fusion · compound_name
- MolClass ID
- 42171
- InChIKey
- VEZDWISOSWOBQD-UHFFFAOYSA-N
- Canonical SMILES
- c3cc(c(Cn1ccc(n1)C2CC2)c(c3)Cl)Cl
- Standard InChI
- InChI=1S/C13H12Cl2N2/c14-11-2-1-3-12(15)10(11)8-17-7-6-13(16-17)9-4-5-9/h1-3,6-7,9H,4-5,8H2
- Stored Murcko scaffold
- n1c(ccn1Cc2ccccc2)C3CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.154 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.938
- 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 · 24818856