Molecule card · MolClass #39387
24829164
24829164: 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
- 24829164Mitochondrial Fusion · compound_name
- MolClass ID
- 39387
- InChIKey
- WEQSEDFYMPYUEV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C(=O)NP(=O)(N1CCOCC1)N2CCOCC2)c(C)n3C4CC4
- Standard InChI
- InChI=1S/C18H29N4O4P/c1-14-13-17(15(2)22(14)16-3-4-16)18(23)19-27(24,20-5-9-25-10-6-20)21-7-11-26-12-8-21/h13,16H,3-12H2,1-2H3,(H,19,23,24)
- Stored Murcko scaffold
- O1CCN(P(N[CH]c2ccn(c2)C3CC3)N4CCOCC4)CC1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.037
- 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 · 24829164