Molecule card · MolClass #40321
17505422
17505422: 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
- 17505422Mitochondrial Fusion · compound_name
- MolClass ID
- 40321
- InChIKey
- LKDPZIJXVRJBQC-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc3c2CCN(Cc1ccccc1)Cc2c(nc3Cl)Cl
- Standard InChI
- InChI=1S/C16H13Cl2N3/c17-15-13(8-19)12-6-7-21(10-14(12)16(18)20-15)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10H2
- Stored Murcko scaffold
- n1ccc2c(c1)CN(Cc3ccccc3)CC2
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
- 3
- 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
- 39.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.201 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.222
- 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 · 17505422