Molecule card · MolClass #40013
3711507
3711507: 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
- 3711507Mitochondrial Fusion · compound_name
- MolClass ID
- 40013
- InChIKey
- NQIJOZBYPDZALU-UHFFFAOYSA-N
- Canonical SMILES
- CCCn2nc1ccccc1c2P(=N)(N3CCOCC3)N4CCOCC4
- Standard InChI
- InChI=1S/C18H28N5O2P/c1-2-7-23-18(16-5-3-4-6-17(16)20-23)26(19,21-8-12-24-13-9-21)22-10-14-25-15-11-22/h3-6,19H,2,7-15H2,1H3
- Stored Murcko scaffold
- n1[nH]c(c2ccccc12)P(N3CCOCC3)N4CCOCC4
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.
- 3716808#40015
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.405
- 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 · 3711507