Molecule card · MolClass #36536
14733315
14733315: 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
- 14733315Mitochondrial Fusion · compound_name
- MolClass ID
- 36536
- InChIKey
- NTVJTQDLDXFVQW-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)C=C(N(C)C1(=O))N2CCCCC2
- Standard InChI
- InChI=1S/C11H17N3O2/c1-12-9(14-6-4-3-5-7-14)8-10(15)13(2)11(12)16/h8H,3-7H2,1-2H3
- Stored Murcko scaffold
- n1cnc(cc1)N2CCCCC2
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.
- 24822024#33514
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.094
- 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 · 14733315