Molecule card · MolClass #49051

24827764

24827764: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24827764Mitochondrial Fusion · compound_name
MolClass ID: 49051
InChIKey: UUAMTSUZPHSPON-UHFFFAOYSA-N
Canonical SMILES: O=P(Nc1cccc(c1)Cl)(Oc2ccccc2)Oc3ccccc3
Standard InChI: InChI=1S/C18H15ClNO3P/c19-15-8-7-9-16(14-15)20-24(21,22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14H,(H,20,21)
Stored Murcko scaffold: O(c1ccccc1)P(Oc2ccccc2)Nc3ccccc3

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.

24827711#49052
24827587#49053
17432242#50809
17432411#50823

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; 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: 57.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 359.744 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.414; 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 · 24827764