Molecule card · MolClass #36872
14741018
14741018: 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
- 14741018Mitochondrial Fusion · compound_name
- MolClass ID
- 36872
- InChIKey
- PVRHIOQTEXYCLW-UHFFFAOYSA-N
- Canonical SMILES
- CCCC4(C)(Nc1ccccc1c3nc2ccccc2n34)
- Standard InChI
- InChI=1S/C18H19N3/c1-3-12-18(2)20-14-9-5-4-8-13(14)17-19-15-10-6-7-11-16(15)21(17)18/h4-11,20H,3,12H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2n3c1-c4ccccc4NC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.477
- 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 · 14741018