Molecule card · MolClass #47755
14739273
14739273: 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
- 14739273Mitochondrial Fusion · compound_name
- MolClass ID
- 47755
- InChIKey
- ZIFHVAAGLCWOEZ-VCHYOVAHSA-N
- Canonical SMILES
- O=C2c3ccccc3(C(O)=C2(C=NCc1ccncc1))
- Standard InChI
- InChI=1S/C16H12N2O2/c19-15-12-3-1-2-4-13(12)16(20)14(15)10-18-9-11-5-7-17-8-6-11/h1-8,10,19H,9H2/b18-10+
- Stored Murcko scaffold
- n1ccc(cc1)CN=CC=2[CH]c3ccccc3C2
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
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.679
- 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 · 14739273