Molecule card · MolClass #45384
3715736
3715736: 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
- 3715736Mitochondrial Fusion · compound_name
- MolClass ID
- 45384
- InChIKey
- FHCNACFDJKNIJX-ISLYRVAYSA-N
- Canonical SMILES
- CN(C)P(=O)(C(=Nc1ccccc1)N2CCCC2)N3CCCC3
- Standard InChI
- InChI=1S/C17H27N4OP/c1-19(2)23(22,21-14-8-9-15-21)17(20-12-6-7-13-20)18-16-10-4-3-5-11-16/h3-5,10-11H,6-9,12-15H2,1-2H3/b18-17+
- Stored Murcko scaffold
- N(c1ccccc1)=C(PN2CCCC2)N3CCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.397 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.402
- 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 · 3715736