Molecule card · MolClass #38530
842157
842157: 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
- 842157Mitochondrial Fusion · compound_name
- MolClass ID
- 38530
- InChIKey
- PFPORCXOCGBIOO-UHFFFAOYSA-N
- Canonical SMILES
- CN2C=CC3=C(C#N)C(N)C(C#N)(C#N)C(c1ccccc1)C3(C2)
- Standard InChI
- InChI=1S/C19H17N5/c1-24-8-7-14-15(9-20)18(23)19(11-21,12-22)17(16(14)10-24)13-5-3-2-4-6-13/h2-8,16-18H,10,23H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2CCC=C3C=CNCC32
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.
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
- 100.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.58
- 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 · 842157