Molecule card · MolClass #49053

24827587

24827587: 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: 24827587Mitochondrial Fusion · compound_name
MolClass ID: 49053
InChIKey: IYHHMPHFDQXTPV-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)OP(=O)(Nc2ccc(F)cc2)Oc3cccc(C)c3
Standard InChI: InChI=1S/C20H19FNO3P/c1-15-5-3-7-19(13-15)24-26(23,22-18-11-9-17(21)10-12-18)25-20-8-4-6-16(2)14-20/h3-14H,1-2H3,(H,22,23)
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
24827711#49052
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: 371.343 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.827; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24827587