Molecule card · MolClass #42067
14722351
14722351: 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
- 14722351Mitochondrial Fusion · compound_name
- MolClass ID
- 42067
- InChIKey
- SDLWGEXLAMKZHI-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccccc1c4nc2ccccc2n34
- Standard InChI
- InChI=1S/C14H8N2O/c17-14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16(13)14/h1-8H
- Stored Murcko scaffold
- n1c2ccccc2n3cc4ccccc4c13
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.
- 16953147#29433
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.227 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.336
- 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 · 14722351