Molecule card · MolClass #39175
14744050
14744050: 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
- 14744050Mitochondrial Fusion · compound_name
- MolClass ID
- 39175
- InChIKey
- QCZLOPQPLXGPLC-SDNWHVSQSA-N
- Canonical SMILES
- N#CC(c2nnc1CCCCCn12)=C4C(=O)Nc3c4(cc(cc3Cl)Cl)
- Standard InChI
- InChI=1S/C17H13Cl2N5O/c18-9-6-10-14(17(25)21-15(10)12(19)7-9)11(8-20)16-23-22-13-4-2-1-3-5-24(13)16/h6-7H,1-5H2,(H,21,25)/b14-11+
- Stored Murcko scaffold
- n1nc2n(c1C=C3[CH]Nc4ccccc34)CCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.036
- 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 · 14744050