Molecule card · MolClass #38984
17402412
17402412: 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
- 17402412Mitochondrial Fusion · compound_name
- MolClass ID
- 38984
- InChIKey
- DNXNAWZHLDVLQP-NXVVXOECSA-N
- Canonical SMILES
- CN(C)C(CN1CCCCC1)=C2N=C(OC2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C18H23N3O2/c1-20(2)15(13-21-11-7-4-8-12-21)16-18(22)23-17(19-16)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3/b16-15-
- Stored Murcko scaffold
- N=1C([CH]OC1c2ccccc2)=CCN3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.984
- 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 · 17402412