Molecule card · MolClass #36446
14744481
14744481: 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
- 14744481Mitochondrial Fusion · compound_name
- MolClass ID
- 36446
- InChIKey
- ATXNTSXBRZTOIE-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC4(CC1)(N=C(N)Nc3nc2ccccc2n34)
- Standard InChI
- InChI=1S/C15H19N5/c1-10-6-8-15(9-7-10)19-13(16)18-14-17-11-4-2-3-5-12(11)20(14)15/h2-5,10H,6-9H2,1H3,(H3,16,17,18,19)
- Stored Murcko scaffold
- N1=CNc2nc3ccccc3n2C14CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.357
- 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 · 14744481