Molecule card · MolClass #39268
14725670
14725670: 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
- 14725670Mitochondrial Fusion · compound_name
- MolClass ID
- 39268
- InChIKey
- CDRRSIQFZJLCKU-UHFFFAOYSA-N
- Canonical SMILES
- CC=3N=C1CCCC(O)=C1C(c2cccnc2)C=3(C#N)
- Standard InChI
- InChI=1S/C16H15N3O/c1-10-12(8-17)15(11-4-3-7-18-9-11)16-13(19-10)5-2-6-14(16)20/h3-4,7,9,15,20H,2,5-6H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2C=CN=C3C2=CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.503
- 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 · 14725670