Molecule card · MolClass #39172
14722119
14722119: 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
- 14722119Mitochondrial Fusion · compound_name
- MolClass ID
- 39172
- InChIKey
- QWTWYRCZPUSJKB-HTXNQAPBSA-N
- Canonical SMILES
- CCOC(O)=C4C(C)=Nc2nc1ccccc1n2C4(c3ccccc3)
- Standard InChI
- InChI=1S/C20H19N3O2/c1-3-25-19(24)17-13(2)21-20-22-15-11-7-8-12-16(15)23(20)18(17)14-9-5-4-6-10-14/h4-12,18,24H,3H2,1-2H3/b19-17+
- Stored Murcko scaffold
- N1=C[CH]C(c2ccccc2)n3c1nc4ccccc43
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.83
- 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 · 14722119