Molecule card · MolClass #45684
22414296
22414296: 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
- 22414296Mitochondrial Fusion · compound_name
- MolClass ID
- 45684
- InChIKey
- HLQYBTTZCBFSTF-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)OCC2=NN=C(CN23)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C16H12ClN3O/c17-12-7-5-11(6-8-12)13-9-20-14-3-1-2-4-15(14)21-10-16(20)19-18-13/h1-8H,9-10H2
- Stored Murcko scaffold
- N=1N=C2N(c3ccccc3OC2)CC1c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.74 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.881
- 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 · 22414296