Molecule card · MolClass #49052

24827711

24827711: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24827711Mitochondrial Fusion · compound_name
MolClass ID: 49052
InChIKey: MYQUAOCBKKLRBC-UHFFFAOYSA-N
Canonical SMILES: CCc1ccc(cc1)NP(=O)(Oc2ccccc2(F))Oc3ccccc3(F)
Standard InChI: InChI=1S/C20H18F2NO3P/c1-2-15-11-13-16(14-12-15)23-27(24,25-19-9-5-3-7-17(19)21)26-20-10-6-4-8-18(20)22/h3-14H,2H2,1H3,(H,23,24)
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.

24827764#49051
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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 389.333 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.015; 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 · 24827711